(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine

C8H18N2 — CID 98195230

IUPAC(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@H]1CN(C)[C@@H](C)C[C@@H]1N
InChIInChI=1S/C8H18N2/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5,9H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyQDZDLPPKTNOOAE-FXQIFTODSA-N
MW142.25 g/mol
LogP0.67
Rot. Bonds

About (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine

(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 98195230) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine
PubChem CID98195230
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine
SMILESC[C@H]1CN(C)[C@@H](C)C[C@@H]1N
InChIInChI=1S/C8H18N2/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5,9H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyQDZDLPPKTNOOAE-FXQIFTODSA-N
XLogP0.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,6-dimethylpiperidine-3,4-diamine
CID 82417846
ethane;(2R,5R)-1,2,4,5-tetramethylpiperidine
CID 145040358
(2R,4R,5S)-1,2,5-trimethylpiperidin-4-ol
CID 98394541
4-chloro-1,2,5-trimethylpiperidine
CID 71367708
(2S)-1,2,4-trimethylpyrrolidine
CID 59864868
1-(1,2,5-trimethylpiperidin-4-yl)ethanone
CID 45086487
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
(3S,5S)-1,5-dimethylpyrrolidin-3-ol
CID 59896080
(2R,4R,5R)-1,2,5-trimethyl-N-propan-2-ylpiperidin-4-amine
CID 93258428
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
methoxymethane;1,2,4-trimethylpyrrolidine
CID 166533533
1,5-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrrolidin-3-amine
CID 115712930

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine (CID 98195230) is (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine is C[C@H]1CN(C)[C@@H](C)C[C@@H]1N.
What is the InChIKey of (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is QDZDLPPKTNOOAE-FXQIFTODSA-N. The full InChI is InChI=1S/C8H18N2/c1-6-5-10(3)7(2)4-8(6)9/h6-8H,4-5,9H2,1-3H3/t6-,7-,8-/m0/s1.
What are the key properties of (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine?
(2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 142.25 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5S)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 98195230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).