1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine

C23H33N — CID 142115910

IUPAC1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine
SMILESCC1CN(C2CCC(C)(C3CC3)C2)CCC1/C=C\c1ccccc1
InChIInChI=1S/C23H33N/c1-18-17-24(22-12-14-23(2,16-22)21-10-11-21)15-13-20(18)9-8-19-6-4-3-5-7-19/h3-9,18,20-22H,10-17H2,1-2H3/b9-8-
InChIKeyITUTYBBQHOGELB-HJWRWDBZSA-N
MW323.52 g/mol
LogP5.63
Rot. Bonds4

About 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine

1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine (PubChem CID 142115910) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine
PubChem CID142115910
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine
SMILESCC1CN(C2CCC(C)(C3CC3)C2)CCC1/C=C\c1ccccc1
InChIInChI=1S/C23H33N/c1-18-17-24(22-12-14-23(2,16-22)21-10-11-21)15-13-20(18)9-8-19-6-4-3-5-7-19/h3-9,18,20-22H,10-17H2,1-2H3/b9-8-
InChIKeyITUTYBBQHOGELB-HJWRWDBZSA-N
XLogP5.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 3-[(3R,4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propan-2-ylcyclopentane-1-carboxylate
CID 142115956
3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-propylcyclopentane-1-carboxylic acid
CID 142115945
3-[(3R)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]cyclopentane-1-carboxylic acid
CID 142115836
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-[1-(cyclopropylmethyl)-3-[3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentyl]ethenamine
CID 142115975
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-ethyl-3-[(4S)-3-methyl-4-[(Z)-2-phenylethenyl]piperidin-1-yl]cyclopentane-1-carboxamide;ethane
CID 142115931
4-methyl-1-(2-phenylethenyl)piperidine
CID 174298455
1-(4-cyclopropyl-2-methylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 171156673
5,5-dimethyl-2-[(E)-2-phenylethenyl]-1,3-dioxane
CID 6043851
(E)-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-phenylprop-2-en-1-amine
CID 62340599
ethane;4-(3-methylpyrrolidin-1-yl)-1-phenylcyclohexan-1-ol
CID 91168784
(2S,3aR)-2-[(E)-2-phenylethenyl]-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine
CID 165343330
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine?
The IUPAC name of 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine (CID 142115910) is 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine.
What is the SMILES notation for 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine?
The canonical SMILES for 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine is CC1CN(C2CCC(C)(C3CC3)C2)CCC1/C=C\c1ccccc1.
What is the InChIKey of 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine?
The InChIKey is ITUTYBBQHOGELB-HJWRWDBZSA-N. The full InChI is InChI=1S/C23H33N/c1-18-17-24(22-12-14-23(2,16-22)21-10-11-21)15-13-20(18)9-8-19-6-4-3-5-7-19/h3-9,18,20-22H,10-17H2,1-2H3/b9-8-.
What are the key properties of 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine?
1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine has a molecular weight of 323.52 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-methylcyclopentyl)-3-methyl-4-[(Z)-2-phenylethenyl]piperidine is sourced from PubChem (CID 142115910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).