N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine

C13H23ClN2 — CID 171500560

IUPACN-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine
SMILESCC/C=C(Cl)/C=C\N(C)C1CCN(C)CC1
InChIInChI=1S/C13H23ClN2/c1-4-5-12(14)6-11-16(3)13-7-9-15(2)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3/b11-6-,12-5-
InChIKeyROJDJKMMRXLDLS-ODASSNHZSA-N
MW242.79 g/mol
LogP3.06
Rot. Bonds4

About N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine

N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 171500560) has the molecular formula C13H23ClN2 and a molecular weight of 242.79 g/mol. Its IUPAC name is N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine
PubChem CID171500560
Molecular FormulaC13H23ClN2
Molecular Weight242.79 g/mol
Exact Mass242.15
IUPAC NameN-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine
SMILESCC/C=C(Cl)/C=C\N(C)C1CCN(C)CC1
InChIInChI=1S/C13H23ClN2/c1-4-5-12(14)6-11-16(3)13-7-9-15(2)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3/b11-6-,12-5-
InChIKeyROJDJKMMRXLDLS-ODASSNHZSA-N
XLogP3.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.79
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine (CID 171500560) is N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine is CC/C=C(Cl)/C=C\N(C)C1CCN(C)CC1.
What is the InChIKey of N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is ROJDJKMMRXLDLS-ODASSNHZSA-N. The full InChI is InChI=1S/C13H23ClN2/c1-4-5-12(14)6-11-16(3)13-7-9-15(2)10-8-13/h5-6,11,13H,4,7-10H2,1-3H3/b11-6-,12-5-.
What are the key properties of N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine?
N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 242.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3Z)-3-chlorohexa-1,3-dienyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 171500560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).