N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C20H27N3 — CID 96531141

IUPACN-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-20(17-8-4-3-5-9-17)22-18-11-14-23(15-12-18)16-19-10-6-7-13-21-19/h3-10,13,18,20,22H,2,11-12,14-16H2,1H3/t20-/m0/s1
InChIKeyYVILFDXRBRCRHL-FQEVSTJZSA-N
MW309.46 g/mol
LogP3.79
Rot. Bonds6

About N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 96531141) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID96531141
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC NameN-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H27N3/c1-2-20(17-8-4-3-5-9-17)22-18-11-14-23(15-12-18)16-19-10-6-7-13-21-19/h3-10,13,18,20,22H,2,11-12,14-16H2,1H3/t20-/m0/s1
InChIKeyYVILFDXRBRCRHL-FQEVSTJZSA-N
XLogP3.79
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanol
CID 110906747
N-(1-phenylpropyl)-1-propan-2-ylpiperidin-4-amine
CID 43206638
1-benzyl-N-[1-(3-methyl-2-pyridinyl)propyl]piperidin-4-amine
CID 50979377
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
N-propyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 60860967
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
N-(1-phenylbutyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 45206753

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 96531141) is N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is CC[C@H](NC1CCN(Cc2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is YVILFDXRBRCRHL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3/c1-2-20(17-8-4-3-5-9-17)22-18-11-14-23(15-12-18)16-19-10-6-7-13-21-19/h3-10,13,18,20,22H,2,11-12,14-16H2,1H3/t20-/m0/s1.
What are the key properties of N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 309.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylpropyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 96531141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).