(3S,4S)-1-benzyl-3-methylpiperidin-4-amine

C13H20N2 — CID 34178997

IUPAC(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N
InChIInChI=1S/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyMGTFEKWKCLDVNN-AAEUAGOBSA-N
MW204.32 g/mol
LogP1.86
Rot. Bonds2

About (3S,4S)-1-benzyl-3-methylpiperidin-4-amine

(3S,4S)-1-benzyl-3-methylpiperidin-4-amine (PubChem CID 34178997) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3S,4S)-1-benzyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
PubChem CID34178997
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
SMILESC[C@H]1CN(Cc2ccccc2)CC[C@@H]1N
InChIInChI=1S/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1
InChIKeyMGTFEKWKCLDVNN-AAEUAGOBSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
CID 119925173
1-(1-benzylpyrrolidin-3-yl)-4-methylpyrrolidin-3-amine
CID 103575535
(3S,4S)-1-benzyl-4-chloro-3-methylpiperidine
CID 97176910
(1-benzyl-3-methylpiperidin-4-yl)methanol
CID 130927897
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
(1-benzyl-3-methylpiperidin-4-yl)-phenylmethanamine
CID 3064195
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
CID 99723964
3-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-4-amine
CID 79868378

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-benzyl-3-methylpiperidin-4-amine?
The IUPAC name of (3S,4S)-1-benzyl-3-methylpiperidin-4-amine (CID 34178997) is (3S,4S)-1-benzyl-3-methylpiperidin-4-amine.
What is the SMILES notation for (3S,4S)-1-benzyl-3-methylpiperidin-4-amine?
The canonical SMILES for (3S,4S)-1-benzyl-3-methylpiperidin-4-amine is C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N.
What is the InChIKey of (3S,4S)-1-benzyl-3-methylpiperidin-4-amine?
The InChIKey is MGTFEKWKCLDVNN-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H20N2/c1-11-9-15(8-7-13(11)14)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10,14H2,1H3/t11-,13-/m0/s1.
What are the key properties of (3S,4S)-1-benzyl-3-methylpiperidin-4-amine?
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-benzyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 34178997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).