N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine

C14H22N2 — CID 90137191

IUPACN-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
SMILESC=C1C=CC=C(CN2CCC(NC)CC2)C1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(10-12)11-16-8-6-14(15-2)7-9-16/h3-5,14-15H,1,6-11H2,2H3
InChIKeyLTIMTEMYXNYRIC-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.11
Rot. Bonds3

About N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine

N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine (PubChem CID 90137191) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
PubChem CID90137191
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
SMILESC=C1C=CC=C(CN2CCC(NC)CC2)C1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(10-12)11-16-8-6-14(15-2)7-9-16/h3-5,14-15H,1,6-11H2,2H3
InChIKeyLTIMTEMYXNYRIC-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine (CID 90137191) is N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine is C=C1C=CC=C(CN2CCC(NC)CC2)C1.
What is the InChIKey of N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine?
The InChIKey is LTIMTEMYXNYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-3-5-13(10-12)11-16-8-6-14(15-2)7-9-16/h3-5,14-15H,1,6-11H2,2H3.
What are the key properties of N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine?
N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine has a molecular weight of 218.34 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 90137191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).