N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine

C17H29N3 — CID 83949113

IUPACN'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
SMILESNCCCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c18-12-4-1-2-5-13-19-16-8-10-17(11-9-16)20-14-6-3-7-15-20/h8-11,19H,1-7,12-15,18H2
InChIKeyNBOKDGWRIQTIAJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.61
Rot. Bonds8

About N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine

N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine (PubChem CID 83949113) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
PubChem CID83949113
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
SMILESNCCCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H29N3/c18-12-4-1-2-5-13-19-16-8-10-17(11-9-16)20-14-6-3-7-15-20/h8-11,19H,1-7,12-15,18H2
InChIKeyNBOKDGWRIQTIAJ-UHFFFAOYSA-N
XLogP3.61
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073
N'-[4-(3-methylpiperidin-1-yl)phenyl]butane-1,4-diamine
CID 83960848
5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
N'-[4-(pyrrolidin-1-ylmethyl)phenyl]hexane-1,6-diamine
CID 83961000
N'-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]pentane-1,5-diamine
CID 59230661
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-[4-[(2R)-2-propan-2-ylmorpholin-4-yl]phenyl]pentane-1,5-diamine
CID 59549646

Frequently Asked Questions

What is the IUPAC name of N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine?
The IUPAC name of N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine (CID 83949113) is N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine?
The canonical SMILES for N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine is NCCCCCCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine?
The InChIKey is NBOKDGWRIQTIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c18-12-4-1-2-5-13-19-16-8-10-17(11-9-16)20-14-6-3-7-15-20/h8-11,19H,1-7,12-15,18H2.
What are the key properties of N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine?
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine has a molecular weight of 275.44 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine is sourced from PubChem (CID 83949113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).