1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine

C16H22FNOS — CID 10402258

IUPAC1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNOS/c17-15-3-5-16(6-4-15)20(19)12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyHBKJEBDHZCJFNW-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.06
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine

1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine (PubChem CID 10402258) has the molecular formula C16H22FNOS and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
PubChem CID10402258
Molecular FormulaC16H22FNOS
Molecular Weight295.42 g/mol
Exact Mass295.14
IUPAC Name1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine
SMILESO=S(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H22FNOS/c17-15-3-5-16(6-4-15)20(19)12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyHBKJEBDHZCJFNW-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine (CID 10402258) is 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine is O=S(CC1CCN(CC2CC2)CC1)c1ccc(F)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
The InChIKey is HBKJEBDHZCJFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNOS/c17-15-3-5-16(6-4-15)20(19)12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine has a molecular weight of 295.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfinylmethyl]piperidine is sourced from PubChem (CID 10402258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).