1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine

C14H24N2 — CID 138500758

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine
SMILESCNC1CN(CC2=CCCC=C2)CCC1C
InChIInChI=1S/C14H24N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h4,6-7,12,14-15H,3,5,8-11H2,1-2H3
InChIKeyPCCPSKZNHSPKDD-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.19
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine

1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine (PubChem CID 138500758) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine
PubChem CID138500758
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine
SMILESCNC1CN(CC2=CCCC=C2)CCC1C
InChIInChI=1S/C14H24N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h4,6-7,12,14-15H,3,5,8-11H2,1-2H3
InChIKeyPCCPSKZNHSPKDD-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine (CID 138500758) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine is CNC1CN(CC2=CCCC=C2)CCC1C.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine?
The InChIKey is PCCPSKZNHSPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h4,6-7,12,14-15H,3,5,8-11H2,1-2H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N,4-dimethylpiperidin-3-amine is sourced from PubChem (CID 138500758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).