[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

C18H21N3O2 — CID 125135136

IUPAC[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C18H21N3O2/c19-13-15-5-1-2-11-21(15)18(22)14-4-3-6-17(12-14)23-16-7-9-20-10-8-16/h3-4,6-10,12,15H,1-2,5,11,13,19H2/t15-/m0/s1
InChIKeySXNDEQVCFDNAMS-HNNXBMFYSA-N
MW311.38 g/mol
LogP2.83
Rot. Bonds4

About [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone

[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (PubChem CID 125135136) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
PubChem CID125135136
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESNC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C18H21N3O2/c19-13-15-5-1-2-11-21(15)18(22)14-4-3-6-17(12-14)23-16-7-9-20-10-8-16/h3-4,6-10,12,15H,1-2,5,11,13,19H2/t15-/m0/s1
InChIKeySXNDEQVCFDNAMS-HNNXBMFYSA-N
XLogP2.83
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 119434742
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(difluoromethoxy)phenyl]methanone
CID 55241766
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592
[2-(1,2,4-oxadiazol-3-yl)azepan-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 126766315
2-(3-acetylphenoxy)-1-[2-(aminomethyl)piperidin-1-yl]propan-1-one
CID 119466539
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[(3S)-3-(methylamino)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 124574705
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The IUPAC name of [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (CID 125135136) is [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.
What is the SMILES notation for [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The canonical SMILES for [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is NC[C@@H]1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The InChIKey is SXNDEQVCFDNAMS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-13-15-5-1-2-11-21(15)18(22)14-4-3-6-17(12-14)23-16-7-9-20-10-8-16/h3-4,6-10,12,15H,1-2,5,11,13,19H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone has a molecular weight of 311.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is sourced from PubChem (CID 125135136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).