N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine

C16H28N2 — CID 142068038

IUPACN-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCC1=CC=C(CN(C)CCN2CCCCC2)CC1
InChIInChI=1S/C16H28N2/c1-15-6-8-16(9-7-15)14-17(2)12-13-18-10-4-3-5-11-18/h6,8H,3-5,7,9-14H2,1-2H3
InChIKeyJTKRWKGUNHCHIA-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.07
Rot. Bonds5

About N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine

N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 142068038) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine
PubChem CID142068038
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine
SMILESCC1=CC=C(CN(C)CCN2CCCCC2)CC1
InChIInChI=1S/C16H28N2/c1-15-6-8-16(9-7-15)14-17(2)12-13-18-10-4-3-5-11-18/h6,8H,3-5,7,9-14H2,1-2H3
InChIKeyJTKRWKGUNHCHIA-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine (CID 142068038) is N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine is CC1=CC=C(CN(C)CCN2CCCCC2)CC1.
What is the InChIKey of N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is JTKRWKGUNHCHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15-6-8-16(9-7-15)14-17(2)12-13-18-10-4-3-5-11-18/h6,8H,3-5,7,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine?
N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 248.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 142068038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).