1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine

C19H32N2 — CID 43098203

IUPAC1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1cc(C)c(C(C)NC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C19H32N2/c1-13(2)21-9-7-18(8-10-21)20-17(6)19-12-15(4)14(3)11-16(19)5/h11-13,17-18,20H,7-10H2,1-6H3
InChIKeyLEUVQNLANVJXTM-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.14
Rot. Bonds4

About 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine

1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine (PubChem CID 43098203) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
PubChem CID43098203
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine
SMILESCc1cc(C)c(C(C)NC2CCN(C(C)C)CC2)cc1C
InChIInChI=1S/C19H32N2/c1-13(2)21-9-7-18(8-10-21)20-17(6)19-12-15(4)14(3)11-16(19)5/h11-13,17-18,20H,7-10H2,1-6H3
InChIKeyLEUVQNLANVJXTM-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-methylphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28652659
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43728666
5-fluoro-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 63066713
N-[1-(5-methylfuran-2-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 43182952
5-methoxy-2-[1-[(1-propan-2-ylpiperidin-4-yl)amino]ethyl]phenol
CID 43206678
1-propan-2-yl-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 43182947
2-methyl-N-[1-(2,4,5-trimethylphenyl)ethyl]oxan-4-amine
CID 103907210
1-propan-2-yl-N-(1-pyridin-4-ylethyl)azepan-4-amine
CID 65072495
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 81353013
N-[1-(3,4-dimethylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 43206708

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine (CID 43098203) is 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine is Cc1cc(C)c(C(C)NC2CCN(C(C)C)CC2)cc1C.
What is the InChIKey of 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine?
The InChIKey is LEUVQNLANVJXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-13(2)21-9-7-18(8-10-21)20-17(6)19-12-15(4)14(3)11-16(19)5/h11-13,17-18,20H,7-10H2,1-6H3.
What are the key properties of 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine?
1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine has a molecular weight of 288.48 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43098203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).