1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine

C49H108N10 — CID 157099764

IUPAC1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(N)CC1.CC1(N)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CCC1N.C[C@@H]1CN(C(C)(C)C)CC[C@H]1N.C[C@H]1CN(C(C)(C)C)CC[C@@H]1N
InChIInChI=1S/4C10H22N2.C9H20N2/c1-9(2,3)12-7-5-10(4,11)6-8-12;3*1-8-7-12(10(2,3)4)6-5-9(8)11;1-9(2,3)11-6-4-8(10)5-7-11/h5-8,11H2,1-4H3;3*8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t;2*8-,9-;;/m.10../s1
InChIKeyAFPZPJMYLQNLBL-YOWUFPLPSA-N
MW837.47 g/mol
LogP7.17
Rot. Bonds

About 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine

1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine (PubChem CID 157099764) has the molecular formula C49H108N10 and a molecular weight of 837.47 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine
PubChem CID157099764
Molecular FormulaC49H108N10
Molecular Weight837.47 g/mol
Exact Mass836.88
IUPAC Name1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine
SMILESCC(C)(C)N1CCC(N)CC1.CC1(N)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CCC1N.C[C@@H]1CN(C(C)(C)C)CC[C@H]1N.C[C@H]1CN(C(C)(C)C)CC[C@@H]1N
InChIInChI=1S/4C10H22N2.C9H20N2/c1-9(2,3)12-7-5-10(4,11)6-8-12;3*1-8-7-12(10(2,3)4)6-5-9(8)11;1-9(2,3)11-6-4-8(10)5-7-11/h5-8,11H2,1-4H3;3*8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t;2*8-,9-;;/m.10../s1
InChIKeyAFPZPJMYLQNLBL-YOWUFPLPSA-N
XLogP7.17
TPSA146.30 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.47
LogP ≤ 57.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

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
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
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
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
1-[(9-Ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane
CID 135257278
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
Potassium;ethane;1-methylpiperazin-4-ide;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-(piperidin-4-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ide
CID 156707594
1-tert-butyl-N-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidine;1-tert-butylpiperidine;1-N'-(1-tert-butylpiperidin-4-yl)ethene-1,1-diamine;methane;1-N-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine;N,N,2-trimethylpropan-2-amine
CID 157111598
3-[4-(3-aminobutan-2-yl)-2,5-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-aminobutyl)-2,5-dimethylpiperazin-1-yl]butan-2-amine;4-[4-(3-aminobutyl)-2,5-dimethylpiperazin-1-yl]butan-2-amine;1-[4-(2-amino-2-methylpropyl)-2,5-dimethylpiperazin-1-yl]-2-methylpropan-2-amine;1-[4-(2-aminopropyl)-2,5-dimethylpiperazin-1-yl]propan-2-amine;2-[2,5-dimethyl-4-[2-(methylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 157123868
3-Tert-butyl-9-(1-methylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane;3-tert-butyl-9-[(1-methylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 157308279
4-but-2-ynyl-3,5-dimethylpiperidine;3,5-diethyl-3-methylpiperidin-4-amine;3-ethyl-3,5-dimethylpiperidin-4-amine;N-ethyl-3,5-dimethylpiperidin-4-amine;molecular hydrogen;N,N,3,5-tetramethylpiperidin-4-amine;3,3,5-trimethylpiperidin-4-amine
CID 157454311
4-[4-(3-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]-2-methylpropan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]propan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]-2-methylpropan-2-amine;N-methyl-2-[4-[2-(methylamino)ethyl]piperazin-1-yl]ethanamine;2-methyl-1-piperazin-1-ylpropan-2-amine
CID 157461244

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine?
The IUPAC name of 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine (CID 157099764) is 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine is CC(C)(C)N1CCC(N)CC1.CC1(N)CCN(C(C)(C)C)CC1.CC1CN(C(C)(C)C)CCC1N.C[C@@H]1CN(C(C)(C)C)CC[C@H]1N.C[C@H]1CN(C(C)(C)C)CC[C@@H]1N.
What is the InChIKey of 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine?
The InChIKey is AFPZPJMYLQNLBL-YOWUFPLPSA-N. The full InChI is InChI=1S/4C10H22N2.C9H20N2/c1-9(2,3)12-7-5-10(4,11)6-8-12;3*1-8-7-12(10(2,3)4)6-5-9(8)11;1-9(2,3)11-6-4-8(10)5-7-11/h5-8,11H2,1-4H3;3*8-9H,5-7,11H2,1-4H3;8H,4-7,10H2,1-3H3/t;2*8-,9-;;/m.10../s1.
What are the key properties of 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine?
1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine has a molecular weight of 837.47 g/mol, XLogP of 7.17, 0 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butyl-4-methylpiperidin-4-amine;(3R,4R)-1-tert-butyl-3-methylpiperidin-4-amine;(3S,4S)-1-tert-butyl-3-methylpiperidin-4-amine;1-tert-butylpiperidin-4-amine is sourced from PubChem (CID 157099764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).