N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine

C14H24N2 — CID 130383342

IUPACN,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(N(C)C2CCN(C)CC2)C=C1
InChIInChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14/h4-6,13-14H,7-11H2,1-3H3
InChIKeyPKJUELDEEBFMCA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.29
Rot. Bonds2

About N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine

N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine (PubChem CID 130383342) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
PubChem CID130383342
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine
SMILESCC1=CCC(N(C)C2CCN(C)CC2)C=C1
InChIInChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14/h4-6,13-14H,7-11H2,1-3H3
InChIKeyPKJUELDEEBFMCA-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The IUPAC name of N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine (CID 130383342) is N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine.
What is the SMILES notation for N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The canonical SMILES for N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine is CC1=CCC(N(C)C2CCN(C)CC2)C=C1.
What is the InChIKey of N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
The InChIKey is PKJUELDEEBFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-12-4-6-13(7-5-12)16(3)14-8-10-15(2)11-9-14/h4-6,13-14H,7-11H2,1-3H3.
What are the key properties of N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine?
N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine has a molecular weight of 220.36 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(4-methylcyclohexa-2,4-dien-1-yl)piperidin-4-amine is sourced from PubChem (CID 130383342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).