3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine

C22H41N — CID 57295016

IUPAC3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
SMILESCCC(C)(C)C1CCC(C=C(C)CN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C22H41N/c1-7-22(5,6)21-10-8-20(9-11-21)13-19(4)16-23-14-17(2)12-18(3)15-23/h13,17-18,20-21H,7-12,14-16H2,1-6H3
InChIKeyYUGHKWVRSSWMAG-UHFFFAOYSA-N
MW319.58 g/mol
LogP6.15
Rot. Bonds5

About 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine

3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine (PubChem CID 57295016) has the molecular formula C22H41N and a molecular weight of 319.58 g/mol. Its IUPAC name is 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
PubChem CID57295016
Molecular FormulaC22H41N
Molecular Weight319.58 g/mol
Exact Mass319.32
IUPAC Name3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine
SMILESCCC(C)(C)C1CCC(C=C(C)CN2CC(C)CC(C)C2)CC1
InChIInChI=1S/C22H41N/c1-7-22(5,6)21-10-8-20(9-11-21)13-19(4)16-23-14-17(2)12-18(3)15-23/h13,17-18,20-21H,7-12,14-16H2,1-6H3
InChIKeyYUGHKWVRSSWMAG-UHFFFAOYSA-N
XLogP6.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.58
LogP ≤ 56.15
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 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine (CID 57295016) is 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine is CCC(C)(C)C1CCC(C=C(C)CN2CC(C)CC(C)C2)CC1.
What is the InChIKey of 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
The InChIKey is YUGHKWVRSSWMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N/c1-7-22(5,6)21-10-8-20(9-11-21)13-19(4)16-23-14-17(2)12-18(3)15-23/h13,17-18,20-21H,7-12,14-16H2,1-6H3.
What are the key properties of 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine?
3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine has a molecular weight of 319.58 g/mol, XLogP of 6.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[2-methyl-3-[4-(2-methylbutan-2-yl)cyclohexyl]prop-2-enyl]piperidine is sourced from PubChem (CID 57295016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).