1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride

C12H24Cl2N2 — CID 126809544

IUPAC1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC2=CCCCC2)CC1
InChIInChI=1S/C12H22N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h4,12H,1-3,5-10,13H2;2*1H
InChIKeyOLZOAQWPIBZPCS-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.75
Rot. Bonds2

About 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride

1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride (PubChem CID 126809544) has the molecular formula C12H24Cl2N2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride
PubChem CID126809544
Molecular FormulaC12H24Cl2N2
Molecular Weight267.24 g/mol
Exact Mass266.13
IUPAC Name1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.NC1CCN(CC2=CCCCC2)CC1
InChIInChI=1S/C12H22N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h4,12H,1-3,5-10,13H2;2*1H
InChIKeyOLZOAQWPIBZPCS-UHFFFAOYSA-N
XLogP2.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.75
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-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride (CID 126809544) is 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride is Cl.Cl.NC1CCN(CC2=CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride?
The InChIKey is OLZOAQWPIBZPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2ClH/c13-12-6-8-14(9-7-12)10-11-4-2-1-3-5-11;;/h4,12H,1-3,5-10,13H2;2*1H.
What are the key properties of 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride?
1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride has a molecular weight of 267.24 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-ylmethyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 126809544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).