2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

C14H20ClN3O2 — CID 114679848

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CN(C)c2ccc(Cl)cn2)CCC1O
InChIInChI=1S/C14H20ClN3O2/c1-10-8-18(6-5-12(10)19)14(20)9-17(2)13-4-3-11(15)7-16-13/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3
InChIKeyBSNJKDPPGXJKAB-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.40
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (PubChem CID 114679848) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
PubChem CID114679848
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
SMILESCC1CN(C(=O)CN(C)c2ccc(Cl)cn2)CCC1O
InChIInChI=1S/C14H20ClN3O2/c1-10-8-18(6-5-12(10)19)14(20)9-17(2)13-4-3-11(15)7-16-13/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3
InChIKeyBSNJKDPPGXJKAB-UHFFFAOYSA-N
XLogP1.40
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone (CID 114679848) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is CC1CN(C(=O)CN(C)c2ccc(Cl)cn2)CCC1O.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
The InChIKey is BSNJKDPPGXJKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10-8-18(6-5-12(10)19)14(20)9-17(2)13-4-3-11(15)7-16-13/h3-4,7,10,12,19H,5-6,8-9H2,1-2H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone has a molecular weight of 297.79 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114679848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).