3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine

C16H26N2 — CID 116988059

IUPAC3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
SMILESCC(C)(CCN)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)15-5-3-13(4-6-15)14-7-11-18-12-8-14/h3-6,14,18H,7-12,17H2,1-2H3
InChIKeyAOEZDTPEHAVSSJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.78
Rot. Bonds4

About 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine

3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine (PubChem CID 116988059) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
PubChem CID116988059
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine
SMILESCC(C)(CCN)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,9-10-17)15-5-3-13(4-6-15)14-7-11-18-12-8-14/h3-6,14,18H,7-12,17H2,1-2H3
InChIKeyAOEZDTPEHAVSSJ-UHFFFAOYSA-N
XLogP2.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine
CID 117436802
2-methyl-2-(4-pyrrolidin-3-ylphenyl)propan-1-amine
CID 84786353
3-[4-(2,4,4-trimethylpentan-2-yl)phenyl]pyrrolidine
CID 117403115
4-[4-(2-methylsulfonylpropan-2-yl)phenyl]piperidine
CID 117116551
4-(4-chlorophenyl)piperidine;ethane
CID 143751340
2-(4-piperidin-4-ylphenoxy)ethanamine
CID 115032196
3-(4-cyclopropyloxyphenyl)-3-methylbutan-1-amine
CID 114520455
[4-(4-piperidin-4-ylphenyl)phenyl]methanamine
CID 116988072
ethane;4-(4-fluorophenyl)piperidine
CID 144692128
methanamine;4-phenylpiperidine
CID 143444696
ethane;4-(4-methylphenyl)piperidine
CID 145467036
1-amino-2-(4-cyclobutylphenyl)propan-2-ol
CID 116505464

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine?
The IUPAC name of 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine (CID 116988059) is 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine.
What is the SMILES notation for 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine?
The canonical SMILES for 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine is CC(C)(CCN)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine?
The InChIKey is AOEZDTPEHAVSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,9-10-17)15-5-3-13(4-6-15)14-7-11-18-12-8-14/h3-6,14,18H,7-12,17H2,1-2H3.
What are the key properties of 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine?
3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(4-piperidin-4-ylphenyl)butan-1-amine is sourced from PubChem (CID 116988059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).