4-(piperidin-1-ylmethyl)benzenethiol

C12H17NS — CID 46785612

IUPAC4-(piperidin-1-ylmethyl)benzenethiol
SMILESSc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H17NS/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,14H,1-3,8-10H2
InChIKeyBPJYMXSJERTAMJ-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.96
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)benzenethiol

4-(piperidin-1-ylmethyl)benzenethiol (PubChem CID 46785612) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)benzenethiol.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)benzenethiol
PubChem CID46785612
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4-(piperidin-1-ylmethyl)benzenethiol
SMILESSc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C12H17NS/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,14H,1-3,8-10H2
InChIKeyBPJYMXSJERTAMJ-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methylphenyl)methyl]azepane
CID 3951815
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-benzylazepane
CID 10954328
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
1-[[4-(bromomethyl)phenyl]methyl]piperidine;hydrobromide
CID 163358516
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[[4-(2-chloroethyl)phenyl]methyl]pyrrolidine
CID 69499407
3-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785609
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
[4-(piperidin-1-ylmethyl)phenyl]methylhydrazine
CID 53275153
1-[[4-(chloromethyl)phenyl]methyl]azetidine
CID 134561394

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)benzenethiol?
The IUPAC name of 4-(piperidin-1-ylmethyl)benzenethiol (CID 46785612) is 4-(piperidin-1-ylmethyl)benzenethiol.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)benzenethiol?
The canonical SMILES for 4-(piperidin-1-ylmethyl)benzenethiol is Sc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)benzenethiol?
The InChIKey is BPJYMXSJERTAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c14-12-6-4-11(5-7-12)10-13-8-2-1-3-9-13/h4-7,14H,1-3,8-10H2.
What are the key properties of 4-(piperidin-1-ylmethyl)benzenethiol?
4-(piperidin-1-ylmethyl)benzenethiol has a molecular weight of 207.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)benzenethiol is sourced from PubChem (CID 46785612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).