3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline

C18H30N2 — CID 57130714

IUPAC3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline
SMILESCCC(CCCN1CCC(C)CC1)c1cccc(N)c1
InChIInChI=1S/C18H30N2/c1-3-16(17-6-4-8-18(19)14-17)7-5-11-20-12-9-15(2)10-13-20/h4,6,8,14-16H,3,5,7,9-13,19H2,1-2H3
InChIKeyYOPCKBPHCAVSQI-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.27
Rot. Bonds6

About 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline

3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline (PubChem CID 57130714) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline.

Molecular Properties

Compound Name3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline
PubChem CID57130714
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline
SMILESCCC(CCCN1CCC(C)CC1)c1cccc(N)c1
InChIInChI=1S/C18H30N2/c1-3-16(17-6-4-8-18(19)14-17)7-5-11-20-12-9-15(2)10-13-20/h4,6,8,14-16H,3,5,7,9-13,19H2,1-2H3
InChIKeyYOPCKBPHCAVSQI-UHFFFAOYSA-N
XLogP4.27
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.27
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-[3-(4-methylpiperidin-1-yl)propyl]aniline
CID 28721152
6-(4-methylpiperidin-1-yl)hexan-3-ol
CID 106802233
3-[3-(4-ethylpiperidin-1-yl)propyl]aniline
CID 113290630
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241
1-(3-fluorophenyl)-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 62643218
1-(3-bromophenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 55099232
1-(3-aminophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 62264397
N-[3-(4-methylpiperidin-1-yl)propyl]-1-phenylbutan-1-amine
CID 43104102
3-pyrrolidin-1-ylpropyl 2-(3-aminophenyl)propanoate
CID 106592484
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
CID 82135880
3-(1-phenyl-7-piperidin-1-ylheptyl)aniline
CID 70534760

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline?
The IUPAC name of 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline (CID 57130714) is 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline.
What is the SMILES notation for 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline?
The canonical SMILES for 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline is CCC(CCCN1CCC(C)CC1)c1cccc(N)c1.
What is the InChIKey of 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline?
The InChIKey is YOPCKBPHCAVSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-3-16(17-6-4-8-18(19)14-17)7-5-11-20-12-9-15(2)10-13-20/h4,6,8,14-16H,3,5,7,9-13,19H2,1-2H3.
What are the key properties of 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline?
3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline has a molecular weight of 274.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperidin-1-yl)hexan-3-yl]aniline is sourced from PubChem (CID 57130714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).