2-chloro-5-(piperidin-1-ylmethyl)phenol

C12H16ClNO — CID 117221593

IUPAC2-chloro-5-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CN2CCCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO/c13-11-5-4-10(8-12(11)15)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChIKeyFSZJTLYLVGGZHH-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-5-(piperidin-1-ylmethyl)phenol

2-chloro-5-(piperidin-1-ylmethyl)phenol (PubChem CID 117221593) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-5-(piperidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-5-(piperidin-1-ylmethyl)phenol
PubChem CID117221593
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-5-(piperidin-1-ylmethyl)phenol
SMILESOc1cc(CN2CCCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO/c13-11-5-4-10(8-12(11)15)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2
InChIKeyFSZJTLYLVGGZHH-UHFFFAOYSA-N
XLogP3.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
CID 78960004
5-(azepan-1-ylmethyl)-2-bromophenol
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2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390
[3-chloro-4-(hydroxymethyl)phenyl]methanol;[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanol;cyclopentane
CID 163701313
4-[[4-[(3,4-dihydroxyphenyl)methyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 10381970
1-[(3-chloro-4-fluorophenyl)methyl]azetidine
CID 126990716
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(piperidin-1-ylmethyl)phenol?
The IUPAC name of 2-chloro-5-(piperidin-1-ylmethyl)phenol (CID 117221593) is 2-chloro-5-(piperidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-5-(piperidin-1-ylmethyl)phenol?
The canonical SMILES for 2-chloro-5-(piperidin-1-ylmethyl)phenol is Oc1cc(CN2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(piperidin-1-ylmethyl)phenol?
The InChIKey is FSZJTLYLVGGZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-4-10(8-12(11)15)9-14-6-2-1-3-7-14/h4-5,8,15H,1-3,6-7,9H2.
What are the key properties of 2-chloro-5-(piperidin-1-ylmethyl)phenol?
2-chloro-5-(piperidin-1-ylmethyl)phenol has a molecular weight of 225.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(piperidin-1-ylmethyl)phenol is sourced from PubChem (CID 117221593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).