N-(6-piperidin-1-ylhexyl)aniline

C17H28N2 — CID 70509590

IUPACN-(6-piperidin-1-ylhexyl)aniline
SMILESc1ccc(NCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1(2-8-14-19-15-9-4-10-16-19)7-13-18-17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2
InChIKeyZUTOSCCWPRVTMW-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.14
Rot. Bonds8

About N-(6-piperidin-1-ylhexyl)aniline

N-(6-piperidin-1-ylhexyl)aniline (PubChem CID 70509590) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(6-piperidin-1-ylhexyl)aniline.

Molecular Properties

Compound NameN-(6-piperidin-1-ylhexyl)aniline
PubChem CID70509590
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(6-piperidin-1-ylhexyl)aniline
SMILESc1ccc(NCCCCCCN2CCCCC2)cc1
InChIInChI=1S/C17H28N2/c1(2-8-14-19-15-9-4-10-16-19)7-13-18-17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2
InChIKeyZUTOSCCWPRVTMW-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-piperidin-1-ylbutyl)aniline
CID 67607520
N-(6-piperidin-1-ylhexyl)pyridin-4-amine;dihydrochloride
CID 11151770
N-[3-(4-chloropiperidin-1-yl)propyl]aniline
CID 70511270
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
2-anilino-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61240014
4-chloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494408
N-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butyl]aniline;trihydrochloride
CID 22252291
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
N-[3-(1,3-dihydroisoindol-2-yl)propyl]aniline
CID 62570411
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
N-[4-(3-pyrrolidin-1-ylpropylamino)phenyl]acetamide
CID 61494179
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957

Frequently Asked Questions

What is the IUPAC name of N-(6-piperidin-1-ylhexyl)aniline?
The IUPAC name of N-(6-piperidin-1-ylhexyl)aniline (CID 70509590) is N-(6-piperidin-1-ylhexyl)aniline.
What is the SMILES notation for N-(6-piperidin-1-ylhexyl)aniline?
The canonical SMILES for N-(6-piperidin-1-ylhexyl)aniline is c1ccc(NCCCCCCN2CCCCC2)cc1.
What is the InChIKey of N-(6-piperidin-1-ylhexyl)aniline?
The InChIKey is ZUTOSCCWPRVTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1(2-8-14-19-15-9-4-10-16-19)7-13-18-17-11-5-3-6-12-17/h3,5-6,11-12,18H,1-2,4,7-10,13-16H2.
What are the key properties of N-(6-piperidin-1-ylhexyl)aniline?
N-(6-piperidin-1-ylhexyl)aniline has a molecular weight of 260.42 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperidin-1-ylhexyl)aniline is sourced from PubChem (CID 70509590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).