1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine

C53H122N16 — CID 159453887

IUPAC1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC(CN)CC1.CN1CCC(N)CC1.CN1CCCC[C@@H]1CN.CN1CCCC[C@H]1CN.CN1CCC[C@@H](CN)C1.CN1CCC[C@@H](N)C1.CN1CCC[C@H](CN)C1.CN1CCC[C@H](N)C1
InChIInChI=1S/5C7H16N2.3C6H14N2/c1-9-4-2-7(6-8)3-5-9;2*1-9-4-2-3-7(5-8)6-9;2*1-9-5-3-2-4-7(9)6-8;1-8-4-2-6(7)3-5-8;2*1-8-4-2-3-6(7)5-8/h5*7H,2-6,8H2,1H3;3*6H,2-5,7H2,1H3/t;4*7-;;2*6-/m.1010.10/s1
InChIKeyLTSIUEFVRPYFHC-RUGRUEPMSA-N
MW983.67 g/mol
LogP1.84
Rot. Bonds5

About 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine

1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine (PubChem CID 159453887) has the molecular formula C53H122N16 and a molecular weight of 983.67 g/mol. Its IUPAC name is 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine
PubChem CID159453887
Molecular FormulaC53H122N16
Molecular Weight983.67 g/mol
Exact Mass983.00
IUPAC Name1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC(CN)CC1.CN1CCC(N)CC1.CN1CCCC[C@@H]1CN.CN1CCCC[C@H]1CN.CN1CCC[C@@H](CN)C1.CN1CCC[C@@H](N)C1.CN1CCC[C@H](CN)C1.CN1CCC[C@H](N)C1
InChIInChI=1S/5C7H16N2.3C6H14N2/c1-9-4-2-7(6-8)3-5-9;2*1-9-4-2-3-7(5-8)6-9;2*1-9-5-3-2-4-7(9)6-8;1-8-4-2-6(7)3-5-8;2*1-8-4-2-3-6(7)5-8/h5*7H,2-6,8H2,1H3;3*6H,2-5,7H2,1H3/t;4*7-;;2*6-/m.1010.10/s1
InChIKeyLTSIUEFVRPYFHC-RUGRUEPMSA-N
XLogP1.84
TPSA234.08 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds5
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500983.67
LogP ≤ 51.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-4-propan-2-ylpiperazine;N,N-diethyl-1-propan-2-ylpiperidin-4-amine;N,N-dimethyl-1-propan-2-ylpiperidin-4-amine;1,4-di(propan-2-yl)piperazine;N,1-di(propan-2-yl)piperidin-4-amine;1-ethyl-4-propan-2-ylpiperazine;N-ethyl-1-propan-2-ylpiperidin-4-amine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;N-methyl-1-propan-2-ylpiperidin-4-amine;bis(4-methyl-1-propan-2-ylpiperidine);bis(4-piperidin-1-yl-1-propan-2-ylpiperidine);1-propan-2-yl-4-pyrrolidin-1-ylpiperidine;1-propan-2-yl-4-(trifluoromethyl)piperidine
CID 158999970
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine;1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 44148487
2-(1-Piperidylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19108416
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 20574174
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
N-methyl-3-piperazin-1-ylpropan-1-amine;N-methyl-4-piperidin-1-ylbutan-1-amine;2-piperazin-1-ylethanamine;2-piperidin-1-ylethanamine;3-piperidin-1-ylpropan-1-amine
CID 90722711
3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 91072495
4-[3,5-Bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
CID 123884106
N-[2-[bis(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
CID 140348178
(2R,6S)-1-tert-butyl-2-[2-[1-tert-butyl-4-(1-tert-butylpiperidin-4-yl)-6-methylpiperazin-2-yl]ethyl]-4-[1-[5-[4-[1-(2,2-dimethylpropyl)piperidin-4-yl]-2,6-dimethylpiperazin-1-yl]-2,5-dimethylhexan-2-yl]piperidin-4-yl]-6-methylpiperazine
CID 146549605

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine (CID 159453887) is 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine is CN1CCC(CN)CC1.CN1CCC(N)CC1.CN1CCCC[C@@H]1CN.CN1CCCC[C@H]1CN.CN1CCC[C@@H](CN)C1.CN1CCC[C@@H](N)C1.CN1CCC[C@H](CN)C1.CN1CCC[C@H](N)C1.
What is the InChIKey of 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is LTSIUEFVRPYFHC-RUGRUEPMSA-N. The full InChI is InChI=1S/5C7H16N2.3C6H14N2/c1-9-4-2-7(6-8)3-5-9;2*1-9-4-2-3-7(5-8)6-9;2*1-9-5-3-2-4-7(9)6-8;1-8-4-2-6(7)3-5-8;2*1-8-4-2-3-6(7)5-8/h5*7H,2-6,8H2,1H3;3*6H,2-5,7H2,1H3/t;4*7-;;2*6-/m.1010.10/s1.
What are the key properties of 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine?
1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 983.67 g/mol, XLogP of 1.84, 5 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidin-4-amine;(3S)-1-methylpiperidin-3-amine;(3R)-1-methylpiperidin-3-amine;(1-methylpiperidin-4-yl)methanamine;[(2R)-1-methylpiperidin-2-yl]methanamine;[(2S)-1-methylpiperidin-2-yl]methanamine;[(3R)-1-methylpiperidin-3-yl]methanamine;[(3S)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 159453887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).