1-[(E)-5-methylhex-2-enyl]piperidine

C12H23N — CID 59434725

IUPAC1-[(E)-5-methylhex-2-enyl]piperidine
SMILESCC(C)C/C=C/CN1CCCCC1
InChIInChI=1S/C12H23N/c1-12(2)8-4-7-11-13-9-5-3-6-10-13/h4,7,12H,3,5-6,8-11H2,1-2H3/b7-4+
InChIKeyLYNULACQXANFEC-QPJJXVBHSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds4

About 1-[(E)-5-methylhex-2-enyl]piperidine

1-[(E)-5-methylhex-2-enyl]piperidine (PubChem CID 59434725) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-[(E)-5-methylhex-2-enyl]piperidine.

Molecular Properties

Compound Name1-[(E)-5-methylhex-2-enyl]piperidine
PubChem CID59434725
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-[(E)-5-methylhex-2-enyl]piperidine
SMILESCC(C)C/C=C/CN1CCCCC1
InChIInChI=1S/C12H23N/c1-12(2)8-4-7-11-13-9-5-3-6-10-13/h4,7,12H,3,5-6,8-11H2,1-2H3/b7-4+
InChIKeyLYNULACQXANFEC-QPJJXVBHSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-5-piperidin-1-ylpent-3-en-2-ol
CID 155350600
1-[2-[(E)-5-methylhex-2-enoxy]ethyl]piperidine
CID 59434644
1-[(E)-5-methylhex-2-enyl]pyrrolidine-3-carboxylic acid
CID 22322909
1-[(E)-4-methoxybut-2-enyl]pyrrolidine
CID 176557900
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-but-2-enylazetidine
CID 544280
(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
CID 14658329
(E)-4-(azetidin-1-yl)but-2-en-1-ol
CID 177230653
(E)-5-methyl-1-pyrrolidin-1-ylhept-2-en-4-one
CID 146188205
1-[(E)-4-(4-methylphenyl)but-2-enyl]piperidine
CID 6445393
(2Z,4Z)-2-[(7E)-5-butan-2-yl-9-piperidin-1-ylnona-1,7-dien-2-yl]sulfanyl-7-methylocta-2,4-dien-3-amine;formamide;propanamide
CID 142454401
1-prop-2-enyl(213C)azinane
CID 173137320

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-5-methylhex-2-enyl]piperidine?
The IUPAC name of 1-[(E)-5-methylhex-2-enyl]piperidine (CID 59434725) is 1-[(E)-5-methylhex-2-enyl]piperidine.
What is the SMILES notation for 1-[(E)-5-methylhex-2-enyl]piperidine?
The canonical SMILES for 1-[(E)-5-methylhex-2-enyl]piperidine is CC(C)C/C=C/CN1CCCCC1.
What is the InChIKey of 1-[(E)-5-methylhex-2-enyl]piperidine?
The InChIKey is LYNULACQXANFEC-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H23N/c1-12(2)8-4-7-11-13-9-5-3-6-10-13/h4,7,12H,3,5-6,8-11H2,1-2H3/b7-4+.
What are the key properties of 1-[(E)-5-methylhex-2-enyl]piperidine?
1-[(E)-5-methylhex-2-enyl]piperidine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-5-methylhex-2-enyl]piperidine is sourced from PubChem (CID 59434725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).