(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine

C10H18FN — CID 146361011

IUPAC(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC(C)CC[C@H]1CF
InChIInChI=1S/C10H18FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h9-10H,1,4-7H2,2-3H3/t9?,10-/m0/s1
InChIKeyIWVCPRCVYMPCGX-AXDSSHIGSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine

(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine (PubChem CID 146361011) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
PubChem CID146361011
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC(C)CC[C@H]1CF
InChIInChI=1S/C10H18FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h9-10H,1,4-7H2,2-3H3/t9?,10-/m0/s1
InChIKeyIWVCPRCVYMPCGX-AXDSSHIGSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine 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 (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine (CID 146361011) is (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CC(C)CC[C@H]1CF.
What is the InChIKey of (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
The InChIKey is IWVCPRCVYMPCGX-AXDSSHIGSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(2)12-7-9(3)4-5-10(12)6-11/h9-10H,1,4-7H2,2-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine?
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 146361011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).