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

C19H23N3O2 — CID 119434742

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-14(20)18-7-2-3-12-22(18)19(23)15-5-4-6-17(13-15)24-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,2-3,7,12,20H2,1H3
InChIKeyDJEZSZHZFKVIPY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.22
Rot. Bonds4

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

[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (PubChem CID 119434742) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
PubChem CID119434742
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
SMILESCC(N)C1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C19H23N3O2/c1-14(20)18-7-2-3-12-22(18)19(23)15-5-4-6-17(13-15)24-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,2-3,7,12,20H2,1H3
InChIKeyDJEZSZHZFKVIPY-UHFFFAOYSA-N
XLogP3.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038922
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95038925
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
[2-(1-aminoethyl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119437119
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
3-amino-N-[[1-(3-pyridin-4-yloxybenzoyl)piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120580136
3-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 119436957
[2-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443198
[2-(1-aminoethyl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 119435840

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone (CID 119434742) is [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is CC(N)C1CCCCN1C(=O)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
The InChIKey is DJEZSZHZFKVIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(20)18-7-2-3-12-22(18)19(23)15-5-4-6-17(13-15)24-16-8-10-21-11-9-16/h4-6,8-11,13-14,18H,2-3,7,12,20H2,1H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone has a molecular weight of 325.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone is sourced from PubChem (CID 119434742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).