3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride

C16H20ClN3O — CID 120910881

IUPAC3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C16H19N3O.ClH/c20-15-3-1-2-13(10-15)12-19-9-8-18-11-16(19)14-4-6-17-7-5-14;/h1-7,10,16,18,20H,8-9,11-12H2;1H
InChIKeyFVCSCTBCBUISLR-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.36
Rot. Bonds3

About 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride

3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride (PubChem CID 120910881) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
PubChem CID120910881
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride
SMILESCl.Oc1cccc(CN2CCNCC2c2ccncc2)c1
InChIInChI=1S/C16H19N3O.ClH/c20-15-3-1-2-13(10-15)12-19-9-8-18-11-16(19)14-4-6-17-7-5-14;/h1-7,10,16,18,20H,8-9,11-12H2;1H
InChIKeyFVCSCTBCBUISLR-UHFFFAOYSA-N
XLogP2.36
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910880
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide;hydrochloride
CID 120910733
3-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120780112
1-[(3-cyclopentyloxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910845
2-pyridin-4-yl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazine
CID 120909944
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
2-pyridin-4-yl-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]piperazine;hydrochloride
CID 120910611
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(2,3-dichlorophenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910755

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride?
The IUPAC name of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride (CID 120910881) is 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride is Cl.Oc1cccc(CN2CCNCC2c2ccncc2)c1.
What is the InChIKey of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride?
The InChIKey is FVCSCTBCBUISLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O.ClH/c20-15-3-1-2-13(10-15)12-19-9-8-18-11-16(19)14-4-6-17-7-5-14;/h1-7,10,16,18,20H,8-9,11-12H2;1H.
What are the key properties of 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride?
3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyridin-4-ylpiperazin-1-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 120910881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).