(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine

C9H15F2N — CID 123163152

IUPAC(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC[C@H](C(F)F)C1
InChIInChI=1S/C9H15F2N/c1-2-5-12-6-3-4-8(7-12)9(10)11/h2,8-9H,1,3-7H2/t8-/m0/s1
InChIKeyGQHXPIDTPUAYMN-QMMMGPOBSA-N
MW175.22 g/mol
LogP2.15
Rot. Bonds3

About (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine

(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine (PubChem CID 123163152) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine
PubChem CID123163152
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine
SMILESC=CCN1CCC[C@H](C(F)F)C1
InChIInChI=1S/C9H15F2N/c1-2-5-12-6-3-4-8(7-12)9(10)11/h2,8-9H,1,3-7H2/t8-/m0/s1
InChIKeyGQHXPIDTPUAYMN-QMMMGPOBSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine?
The IUPAC name of (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine (CID 123163152) is (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine.
What is the SMILES notation for (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine?
The canonical SMILES for (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine is C=CCN1CCC[C@H](C(F)F)C1.
What is the InChIKey of (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine?
The InChIKey is GQHXPIDTPUAYMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F2N/c1-2-5-12-6-3-4-8(7-12)9(10)11/h2,8-9H,1,3-7H2/t8-/m0/s1.
What are the key properties of (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine?
(3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(difluoromethyl)-1-prop-2-enylpiperidine is sourced from PubChem (CID 123163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).