1-cyclobutylpiperidine;4-methylbenzenethiol

C16H25NS — CID 145497273

IUPAC1-cyclobutylpiperidine;4-methylbenzenethiol
SMILESC1CCN(C2CCC2)CC1.Cc1ccc(S)cc1
InChIInChI=1S/C9H17N.C7H8S/c1-2-7-10(8-3-1)9-5-4-6-9;1-6-2-4-7(8)5-3-6/h9H,1-8H2;2-5,8H,1H3
InChIKeyBDUHHALQCKVPHN-UHFFFAOYSA-N
MW263.45 g/mol
LogP4.31
Rot. Bonds1

About 1-cyclobutylpiperidine;4-methylbenzenethiol

1-cyclobutylpiperidine;4-methylbenzenethiol (PubChem CID 145497273) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is 1-cyclobutylpiperidine;4-methylbenzenethiol.

Molecular Properties

Compound Name1-cyclobutylpiperidine;4-methylbenzenethiol
PubChem CID145497273
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC Name1-cyclobutylpiperidine;4-methylbenzenethiol
SMILESC1CCN(C2CCC2)CC1.Cc1ccc(S)cc1
InChIInChI=1S/C9H17N.C7H8S/c1-2-7-10(8-3-1)9-5-4-6-9;1-6-2-4-7(8)5-3-6/h9H,1-8H2;2-5,8H,1H3
InChIKeyBDUHHALQCKVPHN-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutylpiperidine;4-methylbenzenethiol?
The IUPAC name of 1-cyclobutylpiperidine;4-methylbenzenethiol (CID 145497273) is 1-cyclobutylpiperidine;4-methylbenzenethiol.
What is the SMILES notation for 1-cyclobutylpiperidine;4-methylbenzenethiol?
The canonical SMILES for 1-cyclobutylpiperidine;4-methylbenzenethiol is C1CCN(C2CCC2)CC1.Cc1ccc(S)cc1.
What is the InChIKey of 1-cyclobutylpiperidine;4-methylbenzenethiol?
The InChIKey is BDUHHALQCKVPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.C7H8S/c1-2-7-10(8-3-1)9-5-4-6-9;1-6-2-4-7(8)5-3-6/h9H,1-8H2;2-5,8H,1H3.
What are the key properties of 1-cyclobutylpiperidine;4-methylbenzenethiol?
1-cyclobutylpiperidine;4-methylbenzenethiol has a molecular weight of 263.45 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutylpiperidine;4-methylbenzenethiol is sourced from PubChem (CID 145497273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).