4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine

C17H28N2 — CID 82301970

IUPAC4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)c1ccc(CCN2CCC(C)(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19-12-9-17(3,18)10-13-19/h4-7,14H,8-13,18H2,1-3H3
InChIKeyQFBWJVQOCGMXEK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.17
Rot. Bonds4

About 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine

4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine (PubChem CID 82301970) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
PubChem CID82301970
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
SMILESCC(C)c1ccc(CCN2CCC(C)(N)CC2)cc1
InChIInChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19-12-9-17(3,18)10-13-19/h4-7,14H,8-13,18H2,1-3H3
InChIKeyQFBWJVQOCGMXEK-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane
CID 82086321
ethane;1-[3-(4-propan-2-ylphenyl)propyl]pyrrolidine
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4-[2-(4-propan-2-ylphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 91648682
1-[2-(4-fluorophenyl)ethyl]-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113074289
4-[3-(4-propan-2-ylphenyl)propyl]morpholine
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(2R)-4-(4-propan-2-ylphenyl)butan-2-amine
CID 40999647
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
1-(2-chloroethyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine
CID 55183481
1-[[4-(2-piperidin-1-ylethyl)phenyl]methyl]cyclopropan-1-amine
CID 117400107
2-[3-(4-propan-2-ylphenyl)propyl]-2,7-diazaspiro[4.4]nonane
CID 82038702
2-[ethyl-[1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-yl]amino]acetic acid
CID 122043248

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine (CID 82301970) is 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine is CC(C)c1ccc(CCN2CCC(C)(N)CC2)cc1.
What is the InChIKey of 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
The InChIKey is QFBWJVQOCGMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)16-6-4-15(5-7-16)8-11-19-12-9-17(3,18)10-13-19/h4-7,14H,8-13,18H2,1-3H3.
What are the key properties of 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine?
4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 82301970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).