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

C16H22FNS — CID 10401389

IUPAC1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccc(SCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22FNS/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyNGEHZZZPRNBREX-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.04
Rot. Bonds5

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

1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine (PubChem CID 10401389) has the molecular formula C16H22FNS and a molecular weight of 279.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
PubChem CID10401389
Molecular FormulaC16H22FNS
Molecular Weight279.42 g/mol
Exact Mass279.15
IUPAC Name1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine
SMILESFc1ccc(SCC2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C16H22FNS/c17-15-3-5-16(6-4-15)19-12-14-7-9-18(10-8-14)11-13-1-2-13/h3-6,13-14H,1-2,7-12H2
InChIKeyNGEHZZZPRNBREX-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.04
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)sulfanylmethyl]piperidine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine (CID 10401389) is 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine is Fc1ccc(SCC2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine?
The InChIKey is NGEHZZZPRNBREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNS/c17-15-3-5-16(6-4-15)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)sulfanylmethyl]piperidine?
1-(cyclopropylmethyl)-4-[(4-fluorophenyl)sulfanylmethyl]piperidine has a molecular weight of 279.42 g/mol, XLogP of 4.04, 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)sulfanylmethyl]piperidine is sourced from PubChem (CID 10401389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).