[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol

C19H24ClN3O — CID 110011365

IUPAC[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1ccc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)nc1
InChIInChI=1S/C19H24ClN3O/c1-14-2-4-17(21-11-14)12-22-18-10-16(20)3-5-19(18)23-8-6-15(13-24)7-9-23/h2-5,10-11,15,22,24H,6-9,12-13H2,1H3
InChIKeyVKUIAUVUTKIPMV-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.86
Rot. Bonds5

About [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol

[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol (PubChem CID 110011365) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol
PubChem CID110011365
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol
SMILESCc1ccc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)nc1
InChIInChI=1S/C19H24ClN3O/c1-14-2-4-17(21-11-14)12-22-18-10-16(20)3-5-19(18)23-8-6-15(13-24)7-9-23/h2-5,10-11,15,22,24H,6-9,12-13H2,1H3
InChIKeyVKUIAUVUTKIPMV-UHFFFAOYSA-N
XLogP3.86
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol (CID 110011365) is [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol is Cc1ccc(CNc2cc(Cl)ccc2N2CCC(CO)CC2)nc1.
What is the InChIKey of [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol?
The InChIKey is VKUIAUVUTKIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-2-4-17(21-11-14)12-22-18-10-16(20)3-5-19(18)23-8-6-15(13-24)7-9-23/h2-5,10-11,15,22,24H,6-9,12-13H2,1H3.
What are the key properties of [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol?
[1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol has a molecular weight of 345.87 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-2-[(5-methyl-2-pyridinyl)methylamino]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 110011365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).