3-(4-propan-2-ylpiperidin-1-yl)aniline

C14H22N2 — CID 103505094

IUPAC3-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCC(C)C1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N2/c1-11(2)12-6-8-16(9-7-12)14-5-3-4-13(15)10-14/h3-5,10-12H,6-9,15H2,1-2H3
InChIKeyZLLLUBHBKRMOEK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.14
Rot. Bonds2

About 3-(4-propan-2-ylpiperidin-1-yl)aniline

3-(4-propan-2-ylpiperidin-1-yl)aniline (PubChem CID 103505094) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperidin-1-yl)aniline.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperidin-1-yl)aniline
PubChem CID103505094
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-(4-propan-2-ylpiperidin-1-yl)aniline
SMILESCC(C)C1CCN(c2cccc(N)c2)CC1
InChIInChI=1S/C14H22N2/c1-11(2)12-6-8-16(9-7-12)14-5-3-4-13(15)10-14/h3-5,10-12H,6-9,15H2,1-2H3
InChIKeyZLLLUBHBKRMOEK-UHFFFAOYSA-N
XLogP3.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
N-methyl-N-[3-(4-propan-2-ylpiperidin-1-yl)phenyl]methanesulfonamide
CID 164556889
1-[1-[3-(aminomethyl)phenyl]piperidin-4-yl]ethanol
CID 106835397
3-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]aniline
CID 61484816
5-(3-propan-2-ylpyrrolidin-1-yl)pyridin-3-amine
CID 104535877
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)aniline
CID 43620189
1-[1-(3-nitrophenyl)piperidin-4-yl]ethanamine
CID 55215914
3-amino-1-methyl-6-(4-propan-2-ylpiperidin-1-yl)-3H-indol-2-one
CID 103496851

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)aniline?
The IUPAC name of 3-(4-propan-2-ylpiperidin-1-yl)aniline (CID 103505094) is 3-(4-propan-2-ylpiperidin-1-yl)aniline.
What is the SMILES notation for 3-(4-propan-2-ylpiperidin-1-yl)aniline?
The canonical SMILES for 3-(4-propan-2-ylpiperidin-1-yl)aniline is CC(C)C1CCN(c2cccc(N)c2)CC1.
What is the InChIKey of 3-(4-propan-2-ylpiperidin-1-yl)aniline?
The InChIKey is ZLLLUBHBKRMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)12-6-8-16(9-7-12)14-5-3-4-13(15)10-14/h3-5,10-12H,6-9,15H2,1-2H3.
What are the key properties of 3-(4-propan-2-ylpiperidin-1-yl)aniline?
3-(4-propan-2-ylpiperidin-1-yl)aniline has a molecular weight of 218.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperidin-1-yl)aniline is sourced from PubChem (CID 103505094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).