N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine

C14H22N2 — CID 81373256

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
SMILESCc1ccccc1[C@@H](C)NC1CCCNC1
InChIInChI=1S/C14H22N2/c1-11-6-3-4-8-14(11)12(2)16-13-7-5-9-15-10-13/h3-4,6,8,12-13,15-16H,5,7,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyNXILAOZYLQFMOZ-PZORYLMUSA-N
MW218.34 g/mol
LogP2.40
Rot. Bonds3

About N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine

N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine (PubChem CID 81373256) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
PubChem CID81373256
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
SMILESCc1ccccc1[C@@H](C)NC1CCCNC1
InChIInChI=1S/C14H22N2/c1-11-6-3-4-8-14(11)12(2)16-13-7-5-9-15-10-13/h3-4,6,8,12-13,15-16H,5,7,9-10H2,1-2H3/t12-,13?/m1/s1
InChIKeyNXILAOZYLQFMOZ-PZORYLMUSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655
N-[(1R)-1-thiophen-2-ylethyl]piperidin-3-amine
CID 81398343
3-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081561
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475
(3R)-N-(1-pyridin-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637625
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81140463
(3R)-N-(1-thiophen-2-ylethyl)piperidin-3-amine;hydrochloride
CID 71637623
9-methyl-N-[1-(2-methylphenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472551
4-methyl-N-[1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 43081539
N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine
CID 103981604
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine (CID 81373256) is N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine is Cc1ccccc1[C@@H](C)NC1CCCNC1.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine?
The InChIKey is NXILAOZYLQFMOZ-PZORYLMUSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-6-3-4-8-14(11)12(2)16-13-7-5-9-15-10-13/h3-4,6,8,12-13,15-16H,5,7,9-10H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine?
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 81373256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).