(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine

C9H16FN — CID 178156922

IUPAC(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C9H16FN/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyMVAXKDBBJROJRE-BDAKNGLRSA-N
MW157.23 g/mol
LogP2.20
Rot. Bonds1

About (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine

(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine (PubChem CID 178156922) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine
PubChem CID178156922
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CC[C@@H](C)[C@@H](F)C1
InChIInChI=1S/C9H16FN/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyMVAXKDBBJROJRE-BDAKNGLRSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-But-2-en-2-yl-4-(trifluoromethyl)piperidine
CID 68186471
1-But-2-en-2-yl-4-fluoropiperidine
CID 91114057
4-Fluoro-1-(3-methylbut-1-en-2-yl)piperidine
CID 118185526
4-Fluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 122578819
4-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)piperidine
CID 126663367
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-(trifluoromethyl)piperidine
CID 130418372
4-(Difluoromethyl)-1-(3-methylbut-1-en-2-yl)piperidine
CID 145027172
4-Fluoro-1-(4-methylhexa-1,2-dien-3-yl)piperidine
CID 145522850
(2S)-2-(fluoromethyl)-5-methyl-1-prop-1-en-2-ylpiperidine
CID 146361011
1-(3-Fluoroprop-1-en-2-yl)piperidine
CID 155030509
2,2-Difluoro-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
CID 155037099
N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
CID 155274560

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine (CID 178156922) is (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CC[C@@H](C)[C@@H](F)C1.
What is the InChIKey of (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The InChIKey is MVAXKDBBJROJRE-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)11-5-4-8(3)9(10)6-11/h8-9H,1,4-6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
(3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-fluoro-4-methyl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 178156922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).