1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine

C24H38FN — CID 23142112

IUPAC1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CC(c2ccccc2C2CCN(CCCF)CC2)CC(C)(C)C1
InChIInChI=1S/C24H38FN/c1-23(2)16-20(17-24(3,4)18-23)22-9-6-5-8-21(22)19-10-14-26(15-11-19)13-7-12-25/h5-6,8-9,19-20H,7,10-18H2,1-4H3
InChIKeyJNFHPBXUCXZOKC-UHFFFAOYSA-N
MW359.57 g/mol
LogP6.55
Rot. Bonds5

About 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine

1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine (PubChem CID 23142112) has the molecular formula C24H38FN and a molecular weight of 359.57 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine
PubChem CID23142112
Molecular FormulaC24H38FN
Molecular Weight359.57 g/mol
Exact Mass359.30
IUPAC Name1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine
SMILESCC1(C)CC(c2ccccc2C2CCN(CCCF)CC2)CC(C)(C)C1
InChIInChI=1S/C24H38FN/c1-23(2)16-20(17-24(3,4)18-23)22-9-6-5-8-21(22)19-10-14-26(15-11-19)13-7-12-25/h5-6,8-9,19-20H,7,10-18H2,1-4H3
InChIKeyJNFHPBXUCXZOKC-UHFFFAOYSA-N
XLogP6.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.57
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine?
The IUPAC name of 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine (CID 23142112) is 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine.
What is the SMILES notation for 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine?
The canonical SMILES for 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine is CC1(C)CC(c2ccccc2C2CCN(CCCF)CC2)CC(C)(C)C1.
What is the InChIKey of 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine?
The InChIKey is JNFHPBXUCXZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38FN/c1-23(2)16-20(17-24(3,4)18-23)22-9-6-5-8-21(22)19-10-14-26(15-11-19)13-7-12-25/h5-6,8-9,19-20H,7,10-18H2,1-4H3.
What are the key properties of 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine?
1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine has a molecular weight of 359.57 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine is sourced from PubChem (CID 23142112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).