N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine

C17H30N2 — CID 70819880

IUPACN-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine
SMILESCCCC1=CC(CN2CCC(NC)CC2)CC=C1C
InChIInChI=1S/C17H30N2/c1-4-5-16-12-15(7-6-14(16)2)13-19-10-8-17(18-3)9-11-19/h6,12,15,17-18H,4-5,7-11,13H2,1-3H3
InChIKeySAEGZTWEFJGQRI-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.36
Rot. Bonds5

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

N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine (PubChem CID 70819880) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine
PubChem CID70819880
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine
SMILESCCCC1=CC(CN2CCC(NC)CC2)CC=C1C
InChIInChI=1S/C17H30N2/c1-4-5-16-12-15(7-6-14(16)2)13-19-10-8-17(18-3)9-11-19/h6,12,15,17-18H,4-5,7-11,13H2,1-3H3
InChIKeySAEGZTWEFJGQRI-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine (CID 70819880) is N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine is CCCC1=CC(CN2CCC(NC)CC2)CC=C1C.
What is the InChIKey of N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine?
The InChIKey is SAEGZTWEFJGQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-5-16-12-15(7-6-14(16)2)13-19-10-8-17(18-3)9-11-19/h6,12,15,17-18H,4-5,7-11,13H2,1-3H3.
What are the key properties of N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine?
N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-methyl-3-propylcyclohexa-2,4-dien-1-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 70819880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).