sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate

C13H18NNaO — CID 86608799

IUPACsodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
SMILES[Na+].[O-]Cc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.Na/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-11H2;/q-1;+1
InChIKeyRHJWUSLMLAIFMX-UHFFFAOYSA-N
MW227.28 g/mol
LogP-1.46
Rot. Bonds3

About sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate

sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate (PubChem CID 86608799) has the molecular formula C13H18NNaO and a molecular weight of 227.28 g/mol. Its IUPAC name is sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate.

Molecular Properties

Compound Namesodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
PubChem CID86608799
Molecular FormulaC13H18NNaO
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Namesodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
SMILES[Na+].[O-]Cc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.Na/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-11H2;/q-1;+1
InChIKeyRHJWUSLMLAIFMX-UHFFFAOYSA-N
XLogP-1.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(piperidin-1-ylmethyl)benzenethiol
CID 46785612
1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-benzylazepane
CID 10954328
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325

Frequently Asked Questions

What is the IUPAC name of sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate?
The IUPAC name of sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate (CID 86608799) is sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate.
What is the SMILES notation for sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate?
The canonical SMILES for sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate is [Na+].[O-]Cc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate?
The InChIKey is RHJWUSLMLAIFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.Na/c15-11-13-6-4-12(5-7-13)10-14-8-2-1-3-9-14;/h4-7H,1-3,8-11H2;/q-1;+1.
What are the key properties of sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate?
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate has a molecular weight of 227.28 g/mol, XLogP of -1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate is sourced from PubChem (CID 86608799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).