1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C15H23N3O — CID 81487520

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-12(16)14-5-3-9-18(11-14)15(19)7-6-13-4-2-8-17-10-13/h2,4,8,10,12,14H,3,5-7,9,11,16H2,1H3
InChIKeyVZTBSZPMZCXXMN-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 81487520) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID81487520
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCC(N)C1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-12(16)14-5-3-9-18(11-14)15(19)7-6-13-4-2-8-17-10-13/h2,4,8,10,12,14H,3,5-7,9,11,16H2,1H3
InChIKeyVZTBSZPMZCXXMN-UHFFFAOYSA-N
XLogP1.60
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(3-methylphenyl)propan-1-one;hydrochloride
CID 119592777
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 78981202
3-pyridin-3-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289950
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849723
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 99849724
1-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-(2-chlorophenyl)propan-1-one
CID 125146242
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 81487520) is 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CC(N)C1CCCN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is VZTBSZPMZCXXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(16)14-5-3-9-18(11-14)15(19)7-6-13-4-2-8-17-10-13/h2,4,8,10,12,14H,3,5-7,9,11,16H2,1H3.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 81487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).