1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C15H23N3O — CID 124574584

IUPAC1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESC[C@H]1CCCN(C(=O)CCc2ccncc2)[C@H]1CN
InChIInChI=1S/C15H23N3O/c1-12-3-2-10-18(14(12)11-16)15(19)5-4-13-6-8-17-9-7-13/h6-9,12,14H,2-5,10-11,16H2,1H3/t12-,14-/m0/s1
InChIKeyIAJHGDUHCRVDAW-JSGCOSHPSA-N
MW261.37 g/mol
LogP1.60
Rot. Bonds4

About 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 124574584) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID124574584
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESC[C@H]1CCCN(C(=O)CCc2ccncc2)[C@H]1CN
InChIInChI=1S/C15H23N3O/c1-12-3-2-10-18(14(12)11-16)15(19)5-4-13-6-8-17-9-7-13/h6-9,12,14H,2-5,10-11,16H2,1H3/t12-,14-/m0/s1
InChIKeyIAJHGDUHCRVDAW-JSGCOSHPSA-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

(3R)-1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124592771
1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95300977
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 74581521
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124696417
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 124691824
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443535
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 64950110
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-4-(2-methyl-1,3-thiazol-4-yl)butan-1-one
CID 124691638
1-[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592809
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-[benzyl(methyl)amino]ethanone
CID 124592808

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 124574584) is 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one is C[C@H]1CCCN(C(=O)CCc2ccncc2)[C@H]1CN.
What is the InChIKey of 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is IAJHGDUHCRVDAW-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-3-2-10-18(14(12)11-16)15(19)5-4-13-6-8-17-9-7-13/h6-9,12,14H,2-5,10-11,16H2,1H3/t12-,14-/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-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-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 124574584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).