[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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Related Compounds

[1-[4-chloro-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 84587725
3-[[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 136741994
[1-[2-[(tert-butylamino)methyl]-4-chlorophenyl]piperidin-4-yl]methanol
CID 114847855
[1-[2-[(2-fluoro-5-methylphenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 110011361
2-[5-chloro-2-[4-(hydroxymethyl)piperidin-1-yl]anilino]-N-(2-methoxyphenyl)acetamide
CID 71848299
2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-chloro-4-iodo-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312999
1-(4-chloro-2-cyanophenyl)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]piperidine-4-carboxamide
CID 166240020
[1-[5-chloro-2-[(2-methylpropylamino)methyl]phenyl]piperidin-4-yl]methanol
CID 114847856
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311545

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).