N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine

C22H31N3 — CID 59230134

IUPACN'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
SMILESNCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H31N3/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25/h7-14,24H,1-6,15-18,23H2
InChIKeyZASKYGVPPPRGRQ-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.88
Rot. Bonds8

About N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine

N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine (PubChem CID 59230134) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine.

Molecular Properties

Compound NameN'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
PubChem CID59230134
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC NameN'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
SMILESNCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H31N3/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25/h7-14,24H,1-6,15-18,23H2
InChIKeyZASKYGVPPPRGRQ-UHFFFAOYSA-N
XLogP4.88
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
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-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine?
The IUPAC name of N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine (CID 59230134) is N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine.
What is the SMILES notation for N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine?
The canonical SMILES for N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine is NCCCCCNc1ccc(-c2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine?
The InChIKey is ZASKYGVPPPRGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c23-15-3-1-4-16-24-21-11-7-19(8-12-21)20-9-13-22(14-10-20)25-17-5-2-6-18-25/h7-14,24H,1-6,15-18,23H2.
What are the key properties of N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine?
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine has a molecular weight of 337.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine is sourced from PubChem (CID 59230134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).