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

C17H28N2 — CID 81457375

IUPAC3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(C(C)C)cc2)CCC1N
InChIInChI=1S/C17H28N2/c1-4-15-12-19(10-9-17(15)18)11-14-5-7-16(8-6-14)13(2)3/h5-8,13,15,17H,4,9-12,18H2,1-3H3
InChIKeySDGLHKBUJIHJHU-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.37
Rot. Bonds4

About 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine

3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine (PubChem CID 81457375) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
PubChem CID81457375
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc(C(C)C)cc2)CCC1N
InChIInChI=1S/C17H28N2/c1-4-15-12-19(10-9-17(15)18)11-14-5-7-16(8-6-14)13(2)3/h5-8,13,15,17H,4,9-12,18H2,1-3H3
InChIKeySDGLHKBUJIHJHU-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
1-[(3-chloro-5-fluorophenyl)methyl]-3-ethylpiperidin-4-amine
CID 114453815
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
4-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-ol
CID 103898354
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 58659547
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-one
CID 114508804
3-ethyl-1-(2-phenylpropyl)piperidin-4-amine
CID 81456838
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
CID 81457613
N-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 60820296
N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512469

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine (CID 81457375) is 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine is CCC1CN(Cc2ccc(C(C)C)cc2)CCC1N.
What is the InChIKey of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
The InChIKey is SDGLHKBUJIHJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-15-12-19(10-9-17(15)18)11-14-5-7-16(8-6-14)13(2)3/h5-8,13,15,17H,4,9-12,18H2,1-3H3.
What are the key properties of 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine?
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 81457375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).