N-[1-(4-butylphenyl)ethyl]piperidin-1-amine

C17H28N2 — CID 83006590

IUPACN-[1-(4-butylphenyl)ethyl]piperidin-1-amine
SMILESCCCCc1ccc(C(C)NN2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-9-11-17(12-10-16)15(2)18-19-13-6-5-7-14-19/h9-12,15,18H,3-8,13-14H2,1-2H3
InChIKeyMMXQYNOVSIKELX-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.08
Rot. Bonds6

About N-[1-(4-butylphenyl)ethyl]piperidin-1-amine

N-[1-(4-butylphenyl)ethyl]piperidin-1-amine (PubChem CID 83006590) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(4-butylphenyl)ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-(4-butylphenyl)ethyl]piperidin-1-amine
PubChem CID83006590
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(4-butylphenyl)ethyl]piperidin-1-amine
SMILESCCCCc1ccc(C(C)NN2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1-3-4-8-16-9-11-17(12-10-16)15(2)18-19-13-6-5-7-14-19/h9-12,15,18H,3-8,13-14H2,1-2H3
InChIKeyMMXQYNOVSIKELX-UHFFFAOYSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-butylphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43373316
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
[(1R)-1-(4-pentylphenyl)ethyl]hydrazine
CID 124633889
1-(4-pentylphenyl)ethylhydrazine
CID 53402344
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-2-amine
CID 45282077
4-butyl-N-[1-(4-ethylphenyl)ethyl]aniline
CID 43100000
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
1-(4-butylphenyl)-N-(2-cyclopentylethyl)ethanamine
CID 63450221
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butylphenyl)ethyl]piperidin-1-amine?
The IUPAC name of N-[1-(4-butylphenyl)ethyl]piperidin-1-amine (CID 83006590) is N-[1-(4-butylphenyl)ethyl]piperidin-1-amine.
What is the SMILES notation for N-[1-(4-butylphenyl)ethyl]piperidin-1-amine?
The canonical SMILES for N-[1-(4-butylphenyl)ethyl]piperidin-1-amine is CCCCc1ccc(C(C)NN2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-butylphenyl)ethyl]piperidin-1-amine?
The InChIKey is MMXQYNOVSIKELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-4-8-16-9-11-17(12-10-16)15(2)18-19-13-6-5-7-14-19/h9-12,15,18H,3-8,13-14H2,1-2H3.
What are the key properties of N-[1-(4-butylphenyl)ethyl]piperidin-1-amine?
N-[1-(4-butylphenyl)ethyl]piperidin-1-amine has a molecular weight of 260.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butylphenyl)ethyl]piperidin-1-amine is sourced from PubChem (CID 83006590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).