2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol

C18H22ClN3O — CID 71020441

IUPAC2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
SMILESOc1cc(CN2CCC(NCc3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C18H22ClN3O/c19-17-5-4-14(11-18(17)23)13-22-9-6-15(7-10-22)21-12-16-3-1-2-8-20-16/h1-5,8,11,15,21,23H,6-7,9-10,12-13H2
InChIKeyQCYGNGSLLGGCLQ-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.19
Rot. Bonds5

About 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol

2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol (PubChem CID 71020441) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
PubChem CID71020441
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol
SMILESOc1cc(CN2CCC(NCc3ccccn3)CC2)ccc1Cl
InChIInChI=1S/C18H22ClN3O/c19-17-5-4-14(11-18(17)23)13-22-9-6-15(7-10-22)21-12-16-3-1-2-8-20-16/h1-5,8,11,15,21,23H,6-7,9-10,12-13H2
InChIKeyQCYGNGSLLGGCLQ-UHFFFAOYSA-N
XLogP3.19
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

2-[[(1-benzylpiperidin-4-yl)amino]methyl]-4-pyridin-2-ylphenol
CID 135971342
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
4-[[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]methyl]benzoic acid
CID 122031321
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 100675626
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 42241236
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-pyridin-2-ylbutanediamide
CID 20794188
N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol?
The IUPAC name of 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol (CID 71020441) is 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol?
The canonical SMILES for 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol is Oc1cc(CN2CCC(NCc3ccccn3)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol?
The InChIKey is QCYGNGSLLGGCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-17-5-4-14(11-18(17)23)13-22-9-6-15(7-10-22)21-12-16-3-1-2-8-20-16/h1-5,8,11,15,21,23H,6-7,9-10,12-13H2.
What are the key properties of 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol?
2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol has a molecular weight of 331.85 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 71020441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).