2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine

C17H31N — CID 59390093

IUPAC2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine
SMILESCC1=C(C2CCCCN2C)C(C(C)C)CC[C@H]1C
InChIInChI=1S/C17H31N/c1-12(2)15-10-9-13(3)14(4)17(15)16-8-6-7-11-18(16)5/h12-13,15-16H,6-11H2,1-5H3/t13-,15?,16?/m1/s1
InChIKeyVVAUFQJYDVLEDU-IUDNXUCKSA-N
MW249.44 g/mol
LogP4.49
Rot. Bonds2

About 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine

2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine (PubChem CID 59390093) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine
PubChem CID59390093
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC Name2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine
SMILESCC1=C(C2CCCCN2C)C(C(C)C)CC[C@H]1C
InChIInChI=1S/C17H31N/c1-12(2)15-10-9-13(3)14(4)17(15)16-8-6-7-11-18(16)5/h12-13,15-16H,6-11H2,1-5H3/t13-,15?,16?/m1/s1
InChIKeyVVAUFQJYDVLEDU-IUDNXUCKSA-N
XLogP4.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.49
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 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine?
The IUPAC name of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine (CID 59390093) is 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine.
What is the SMILES notation for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine?
The canonical SMILES for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine is CC1=C(C2CCCCN2C)C(C(C)C)CC[C@H]1C.
What is the InChIKey of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine?
The InChIKey is VVAUFQJYDVLEDU-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H31N/c1-12(2)15-10-9-13(3)14(4)17(15)16-8-6-7-11-18(16)5/h12-13,15-16H,6-11H2,1-5H3/t13-,15?,16?/m1/s1.
What are the key properties of 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine?
2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine has a molecular weight of 249.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,3-dimethyl-6-propan-2-ylcyclohexen-1-yl]-1-methylpiperidine is sourced from PubChem (CID 59390093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).