N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine

C18H30N2 — CID 43206708

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-10-20-11-8-18(9-12-20)19-16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12H2,1-4H3
InChIKeySPIXOBOGRQYRLW-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.83
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine

N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine (PubChem CID 43206708) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
PubChem CID43206708
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NC(C)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-10-20-11-8-18(9-12-20)19-16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12H2,1-4H3
InChIKeySPIXOBOGRQYRLW-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206682
N-[(1R)-1-(4-bromophenyl)ethyl]-1-propylpiperidin-4-amine
CID 28717671
N-[1-(3,4-dimethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949868
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206713
3-[1-[(1-propylpiperidin-4-yl)amino]ethyl]phenol
CID 43206699
1-butyl-N-[1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 43748363
N-(1-phenylethyl)-1-propylazepan-4-amine
CID 65072569
N-[1-(5-methylfuran-2-yl)ethyl]-1-propylpiperidin-4-amine
CID 43182992
4-[1-(3,4-dimethylphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054628
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61039133
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine (CID 43206708) is N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine is CCCN1CCC(NC(C)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine?
The InChIKey is SPIXOBOGRQYRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-10-20-11-8-18(9-12-20)19-16(4)17-7-6-14(2)15(3)13-17/h6-7,13,16,18-19H,5,8-12H2,1-4H3.
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine?
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine has a molecular weight of 274.45 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43206708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).