1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride

C17H26ClNOS — CID 10381812

IUPAC1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride
SMILESCSc1ccc(OCC2CCN(CC3CC3)CC2)cc1.Cl
InChIInChI=1S/C17H25NOS.ClH/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14;/h4-7,14-15H,2-3,8-13H2,1H3;1H
InChIKeyGMDTXMJSJXCQHN-UHFFFAOYSA-N
MW327.92 g/mol
LogP4.33
Rot. Bonds6

About 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride

1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride (PubChem CID 10381812) has the molecular formula C17H26ClNOS and a molecular weight of 327.92 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride
PubChem CID10381812
Molecular FormulaC17H26ClNOS
Molecular Weight327.92 g/mol
Exact Mass327.14
IUPAC Name1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride
SMILESCSc1ccc(OCC2CCN(CC3CC3)CC2)cc1.Cl
InChIInChI=1S/C17H25NOS.ClH/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14;/h4-7,14-15H,2-3,8-13H2,1H3;1H
InChIKeyGMDTXMJSJXCQHN-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.92
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride (CID 10381812) is 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride is CSc1ccc(OCC2CCN(CC3CC3)CC2)cc1.Cl.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride?
The InChIKey is GMDTXMJSJXCQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOS.ClH/c1-20-17-6-4-16(5-7-17)19-13-15-8-10-18(11-9-15)12-14-2-3-14;/h4-7,14-15H,2-3,8-13H2,1H3;1H.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride?
1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride has a molecular weight of 327.92 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-methylsulfanylphenoxy)methyl]piperidine;hydrochloride is sourced from PubChem (CID 10381812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).