N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine

C14H25N3 — CID 70797133

IUPACN,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESCNC1=CC=C(N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-15-12-4-6-14(7-5-12)17-10-8-13(9-11-17)16(2)3/h4,6,13,15H,5,7-11H2,1-3H3
InChIKeyYLMHXBVGPQVQKN-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.79
Rot. Bonds3

About N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine

N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 70797133) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID70797133
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESCNC1=CC=C(N2CCC(N(C)C)CC2)CC1
InChIInChI=1S/C14H25N3/c1-15-12-4-6-14(7-5-12)17-10-8-13(9-11-17)16(2)3/h4,6,13,15H,5,7-11H2,1-3H3
InChIKeyYLMHXBVGPQVQKN-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 70797133) is N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine is CNC1=CC=C(N2CCC(N(C)C)CC2)CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is YLMHXBVGPQVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-12-4-6-14(7-5-12)17-10-8-13(9-11-17)16(2)3/h4,6,13,15H,5,7-11H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 235.38 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 70797133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).