4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine

C14H22FN — CID 155197687

IUPAC4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC(C)C1C=CC(N2CCC(F)CC2)=CC1
InChIInChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3,5-6,11-13H,4,7-10H2,1-2H3
InChIKeyPUJBCWNSZFPOJZ-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.54
Rot. Bonds2

About 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine

4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 155197687) has the molecular formula C14H22FN and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID155197687
Molecular FormulaC14H22FN
Molecular Weight223.34 g/mol
Exact Mass223.17
IUPAC Name4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC(C)C1C=CC(N2CCC(F)CC2)=CC1
InChIInChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3,5-6,11-13H,4,7-10H2,1-2H3
InChIKeyPUJBCWNSZFPOJZ-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
N-ethyl-1-fluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 23123337
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
10-Ethyl-4-fluoro-7-methyl-2,3,6,7,8,9-hexahydropyrido[1,2-a]indole
CID 90910284
2-Methyl-6-methylidene-3-(2,3,5-trifluorocyclohexa-2,4-dien-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 123456523
1-Buta-1,3-dien-2-yl-4-(6-fluorohexa-3,5-dienyl)piperidine
CID 123697465
6-(2,4-difluoro-6-pent-2-enylcyclohexa-1,3-dien-1-yl)-1-pent-2-enyl-2H-pyridine
CID 129156390
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine (CID 155197687) is 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine is CC(C)C1C=CC(N2CCC(F)CC2)=CC1.
What is the InChIKey of 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is PUJBCWNSZFPOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-11(2)12-3-5-14(6-4-12)16-9-7-13(15)8-10-16/h3,5-6,11-13H,4,7-10H2,1-2H3.
What are the key properties of 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine?
4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 223.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 155197687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).