4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride

C12H17Cl2NO — CID 15576412

IUPAC4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CN1CCCCC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14;/h4-5,8,15H,1-3,6-7,9H2;1H
InChIKeyGWQNOPFMSZTEAI-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.45
Rot. Bonds2

About 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride

4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride (PubChem CID 15576412) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
PubChem CID15576412
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(Cl)cc1CN1CCCCC1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14;/h4-5,8,15H,1-3,6-7,9H2;1H
InChIKeyGWQNOPFMSZTEAI-UHFFFAOYSA-N
XLogP3.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[[3-[(5-chloro-2-hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
CID 71536047
4-chloro-2-(piperidin-1-ylmethyl)phenol;2,2,2-trifluoroacetic acid
CID 46840090
4-[(Z)-2-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethenyl]-2-(piperidin-1-ylmethyl)phenol
CID 46240407
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
1-[(5-chloro-2-hydroxyphenyl)methyl]azetidine-3-carboxylic acid
CID 65071786
2-(azocan-1-ylmethyl)-4,6-dichlorophenol
CID 82977984
5-chloro-2-(piperidin-1-ylmethyl)benzoic acid
CID 117220873
(2Z,6E)-2-[(4-chlorophenyl)methylidene]-6-[[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]methylidene]cyclohexan-1-one
CID 92858021
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
1,3-bis[(5-chloro-2-hydroxyphenyl)methyl]imidazolidin-2-one
CID 23940858
4-amino-2-(azetidin-1-ylmethyl)phenol
CID 130546739
5-chloro-2-(pyrrolidin-1-ylmethyl)benzoic acid
CID 117220861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The IUPAC name of 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride (CID 15576412) is 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride.
What is the SMILES notation for 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The canonical SMILES for 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride is Cl.Oc1ccc(Cl)cc1CN1CCCCC1.
What is the InChIKey of 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
The InChIKey is GWQNOPFMSZTEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-11-4-5-12(15)10(8-11)9-14-6-2-1-3-7-14;/h4-5,8,15H,1-3,6-7,9H2;1H.
What are the key properties of 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride?
4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(piperidin-1-ylmethyl)phenol;hydrochloride is sourced from PubChem (CID 15576412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).