N-[(1S)-1-phenylethyl]piperidin-4-amine

C13H20N2 — CID 81351686

IUPACN-[(1S)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](NC1CCNCC1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,13-15H,7-10H2,1H3/t11-/m0/s1
InChIKeyYIHGPADYGNMOGL-NSHDSACASA-N
MW204.32 g/mol
LogP2.09
Rot. Bonds3

About N-[(1S)-1-phenylethyl]piperidin-4-amine

N-[(1S)-1-phenylethyl]piperidin-4-amine (PubChem CID 81351686) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]piperidin-4-amine
PubChem CID81351686
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-[(1S)-1-phenylethyl]piperidin-4-amine
SMILESC[C@H](NC1CCNCC1)c1ccccc1
InChIInChI=1S/C13H20N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,13-15H,7-10H2,1H3/t11-/m0/s1
InChIKeyYIHGPADYGNMOGL-NSHDSACASA-N
XLogP2.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-(1-pyridin-3-ylethyl)pyrrolidin-3-amine
CID 79724749
N-[(1S)-1-(3-methoxyphenyl)ethyl]azepan-4-amine
CID 103982575
N-[(1S)-1-phenylethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 81350691
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
[3-[[(1R)-1-phenylethyl]amino]piperidin-4-yl]methanol
CID 174553804

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]piperidin-4-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]piperidin-4-amine (CID 81351686) is N-[(1S)-1-phenylethyl]piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]piperidin-4-amine is C[C@H](NC1CCNCC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]piperidin-4-amine?
The InChIKey is YIHGPADYGNMOGL-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2/c1-11(12-5-3-2-4-6-12)15-13-7-9-14-10-8-13/h2-6,11,13-15H,7-10H2,1H3/t11-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]piperidin-4-amine?
N-[(1S)-1-phenylethyl]piperidin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]piperidin-4-amine is sourced from PubChem (CID 81351686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).