4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide

C10H22BrNS — CID 174870559

IUPAC4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
SMILESBr.CN1CCCCC1CCCCS
InChIInChI=1S/C10H21NS.BrH/c1-11-8-4-2-6-10(11)7-3-5-9-12;/h10,12H,2-9H2,1H3;1H
InChIKeyPPHYKTPKXCOSTM-UHFFFAOYSA-N
MW268.26 g/mol
LogP3.15
Rot. Bonds4

About 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide

4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide (PubChem CID 174870559) has the molecular formula C10H22BrNS and a molecular weight of 268.26 g/mol. Its IUPAC name is 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide.

Molecular Properties

Compound Name4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
PubChem CID174870559
Molecular FormulaC10H22BrNS
Molecular Weight268.26 g/mol
Exact Mass267.07
IUPAC Name4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide
SMILESBr.CN1CCCCC1CCCCS
InChIInChI=1S/C10H21NS.BrH/c1-11-8-4-2-6-10(11)7-3-5-9-12;/h10,12H,2-9H2,1H3;1H
InChIKeyPPHYKTPKXCOSTM-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide 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

N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
1-methyl-2-tetradecylpyrrolidine
CID 24796983
11-[(2R)-1-methylpyrrolidin-2-yl]undecan-1-ol
CID 11777143
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
2-butyl-1-methylpiperidine;methanesulfonic acid
CID 175583536
6-(2-propylpiperidin-1-yl)hexane-1-thiol
CID 83057539
[(2R)-1-methylpyrrolidin-2-yl]methanethiol
CID 90948106
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide?
The IUPAC name of 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide (CID 174870559) is 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide.
What is the SMILES notation for 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide?
The canonical SMILES for 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide is Br.CN1CCCCC1CCCCS.
What is the InChIKey of 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide?
The InChIKey is PPHYKTPKXCOSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.BrH/c1-11-8-4-2-6-10(11)7-3-5-9-12;/h10,12H,2-9H2,1H3;1H.
What are the key properties of 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide?
4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide has a molecular weight of 268.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-2-yl)butane-1-thiol;hydrobromide is sourced from PubChem (CID 174870559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).