4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride

C24H37ClFN — CID 23142987

IUPAC4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride
SMILESCCCN1CCC(c2cc(F)ccc2C2=CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C24H36FN.ClH/c1-6-11-26-12-9-18(10-13-26)22-14-20(25)7-8-21(22)19-15-23(2,3)17-24(4,5)16-19;/h7-8,14-15,18H,6,9-13,16-17H2,1-5H3;1H
InChIKeyNXNOBTHUFGUUMQ-UHFFFAOYSA-N
MW394.02 g/mol
LogP7.07
Rot. Bonds4

About 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride

4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride (PubChem CID 23142987) has the molecular formula C24H37ClFN and a molecular weight of 394.02 g/mol. Its IUPAC name is 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride
PubChem CID23142987
Molecular FormulaC24H37ClFN
Molecular Weight394.02 g/mol
Exact Mass393.26
IUPAC Name4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride
SMILESCCCN1CCC(c2cc(F)ccc2C2=CC(C)(C)CC(C)(C)C2)CC1.Cl
InChIInChI=1S/C24H36FN.ClH/c1-6-11-26-12-9-18(10-13-26)22-14-20(25)7-8-21(22)19-15-23(2,3)17-24(4,5)16-19;/h7-8,14-15,18H,6,9-13,16-17H2,1-5H3;1H
InChIKeyNXNOBTHUFGUUMQ-UHFFFAOYSA-N
XLogP7.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.02
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane
CID 23142754
1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]azepane;hydrochloride
CID 23141843
1-(cyclopropylmethyl)-4-[4-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine;hydrochloride
CID 23141664
1-[4-(4-methoxypiperidin-1-yl)-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine;hydrochloride
CID 23142866
6-fluoro-1-methyl-3-(1-propylpiperidin-4-yl)indole
CID 71457837
1-butyl-4-[4-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-3,6-dihydro-2H-pyridine;hydrochloride
CID 23142400
1-[2-(3,3-dimethyl-5-methylidenecyclohexyl)-4-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-4-propylpiperazine
CID 89177017
1-butyl-4-[5-methoxy-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine
CID 23142848
1-(cyclopropylmethyl)-4-[5-methyl-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]piperazine;hydrochloride
CID 23142798
1-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-propylpiperazine
CID 23142557
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
2-[1-(3-aminopropyl)piperidin-4-yl]-4-fluorobenzonitrile;hydrochloride
CID 18326590

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride?
The IUPAC name of 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride (CID 23142987) is 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride.
What is the SMILES notation for 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride?
The canonical SMILES for 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride is CCCN1CCC(c2cc(F)ccc2C2=CC(C)(C)CC(C)(C)C2)CC1.Cl.
What is the InChIKey of 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride?
The InChIKey is NXNOBTHUFGUUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN.ClH/c1-6-11-26-12-9-18(10-13-26)22-14-20(25)7-8-21(22)19-15-23(2,3)17-24(4,5)16-19;/h7-8,14-15,18H,6,9-13,16-17H2,1-5H3;1H.
What are the key properties of 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride?
4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride has a molecular weight of 394.02 g/mol, XLogP of 7.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexen-1-yl)phenyl]-1-propylpiperidine;hydrochloride is sourced from PubChem (CID 23142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).