2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine

C19H32N2 — CID 79060271

IUPAC2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCC(C)(C(N)c1ccc(C(C)C)cc1)N1CCCCC1
InChIInChI=1S/C19H32N2/c1-5-19(4,21-13-7-6-8-14-21)18(20)17-11-9-16(10-12-17)15(2)3/h9-12,15,18H,5-8,13-14,20H2,1-4H3
InChIKeyGBDBYXLPVDKXHA-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.46
Rot. Bonds5

About 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine

2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine (PubChem CID 79060271) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
PubChem CID79060271
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine
SMILESCCC(C)(C(N)c1ccc(C(C)C)cc1)N1CCCCC1
InChIInChI=1S/C19H32N2/c1-5-19(4,21-13-7-6-8-14-21)18(20)17-11-9-16(10-12-17)15(2)3/h9-12,15,18H,5-8,13-14,20H2,1-4H3
InChIKeyGBDBYXLPVDKXHA-UHFFFAOYSA-N
XLogP4.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065290
N,2-dimethyl-1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79059314
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79705436
1-(1-ethylpyrazol-4-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79069578
1-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065259
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 104542676
1-(4-propan-2-ylphenyl)-2-pyrrolidin-1-ylpropan-2-amine
CID 84747850
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068482
2-methyl-1-(2-methylphenyl)-2-pyrrolidin-1-ylbutan-1-amine
CID 79069491
1-(3-fluoro-4-pyridinyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 104738438
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(cycloocten-1-yl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 106653620

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine (CID 79060271) is 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine is CCC(C)(C(N)c1ccc(C(C)C)cc1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine?
The InChIKey is GBDBYXLPVDKXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-5-19(4,21-13-7-6-8-14-21)18(20)17-11-9-16(10-12-17)15(2)3/h9-12,15,18H,5-8,13-14,20H2,1-4H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine?
2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-(4-propan-2-ylphenyl)butan-1-amine is sourced from PubChem (CID 79060271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).