1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine

C12H22N2 — CID 53407205

IUPAC1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10,13H2
InChIKeyIFDXHDOCXPKDDX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.77
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine

1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine (PubChem CID 53407205) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
PubChem CID53407205
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine
SMILESNC1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10,13H2
InChIKeyIFDXHDOCXPKDDX-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine (CID 53407205) is 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine is NC1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
The InChIKey is IFDXHDOCXPKDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-2,11-12H,3-10,13H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine?
1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine has a molecular weight of 194.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 53407205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).