(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine

C14H22N2 — CID 9160808

IUPAC(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
SMILESC[C@H]1CCCN([C@@H](CN)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/t12-,14-/m0/s1
InChIKeyLHQTWACZUTUCKS-JSGCOSHPSA-N
MW218.34 g/mol
LogP2.42
Rot. Bonds3

About (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine

(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine (PubChem CID 9160808) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
PubChem CID9160808
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
SMILESC[C@H]1CCCN([C@@H](CN)c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/t12-,14-/m0/s1
InChIKeyLHQTWACZUTUCKS-JSGCOSHPSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylethanamine
CID 16642936
(2S)-2-(3,5-dichlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552547
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302
(2S)-2-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552543
1-(2-amino-1-phenylethyl)pyrrolidin-3-ol
CID 62941324
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63068810
(2S)-2-(5-bromo-3-pyridinyl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 124845265
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3R)-3-methylpiperidin-1-yl]ethanamine
CID 93297931
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 93297932

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine?
The IUPAC name of (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine (CID 9160808) is (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine.
What is the SMILES notation for (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine?
The canonical SMILES for (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine is C[C@H]1CCCN([C@@H](CN)c2ccccc2)C1.
What is the InChIKey of (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine?
The InChIKey is LHQTWACZUTUCKS-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/t12-,14-/m0/s1.
What are the key properties of (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine?
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine is sourced from PubChem (CID 9160808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).