1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine

C20H33N — CID 71277822

IUPAC1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine
SMILESCC(C)=CC(C[C@H](C)C1C=CC(C)=CC1)N1CCCCC1
InChIInChI=1S/C20H33N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-10,14,18-20H,5-7,11-13,15H2,1-4H3/t18-,19?,20?/m0/s1
InChIKeyRHKFLBYPJDMARC-HDYDNRTBSA-N
MW287.49 g/mol
LogP5.36
Rot. Bonds5

About 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine

1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine (PubChem CID 71277822) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine.

Molecular Properties

Compound Name1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine
PubChem CID71277822
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine
SMILESCC(C)=CC(C[C@H](C)C1C=CC(C)=CC1)N1CCCCC1
InChIInChI=1S/C20H33N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-10,14,18-20H,5-7,11-13,15H2,1-4H3/t18-,19?,20?/m0/s1
InChIKeyRHKFLBYPJDMARC-HDYDNRTBSA-N
XLogP5.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.36
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 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine?
The IUPAC name of 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine (CID 71277822) is 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine.
What is the SMILES notation for 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine?
The canonical SMILES for 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine is CC(C)=CC(C[C@H](C)C1C=CC(C)=CC1)N1CCCCC1.
What is the InChIKey of 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine?
The InChIKey is RHKFLBYPJDMARC-HDYDNRTBSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)14-20(21-12-6-5-7-13-21)15-18(4)19-10-8-17(3)9-11-19/h8-10,14,18-20H,5-7,11-13,15H2,1-4H3/t18-,19?,20?/m0/s1.
What are the key properties of 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine?
1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine has a molecular weight of 287.49 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2-methyl-6-(4-methylcyclohexa-2,4-dien-1-yl)hept-2-en-4-yl]piperidine is sourced from PubChem (CID 71277822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).