5-(4-piperidin-1-ylanilino)pentanenitrile

C16H23N3 — CID 63179154

IUPAC5-(4-piperidin-1-ylanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H23N3/c17-11-3-1-4-12-18-15-7-9-16(10-8-15)19-13-5-2-6-14-19/h7-10,18H,1-6,12-14H2
InChIKeyIBFNTPMZJFRGKI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.78
Rot. Bonds6

About 5-(4-piperidin-1-ylanilino)pentanenitrile

5-(4-piperidin-1-ylanilino)pentanenitrile (PubChem CID 63179154) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylanilino)pentanenitrile.

Molecular Properties

Compound Name5-(4-piperidin-1-ylanilino)pentanenitrile
PubChem CID63179154
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(4-piperidin-1-ylanilino)pentanenitrile
SMILESN#CCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H23N3/c17-11-3-1-4-12-18-15-7-9-16(10-8-15)19-13-5-2-6-14-19/h7-10,18H,1-6,12-14H2
InChIKeyIBFNTPMZJFRGKI-UHFFFAOYSA-N
XLogP3.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
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

5-(4-morpholin-4-ylanilino)pentanenitrile
CID 63172451
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
4-morpholin-4-yl-N-pent-4-ynylaniline
CID 113374169
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylanilino)pentanenitrile?
The IUPAC name of 5-(4-piperidin-1-ylanilino)pentanenitrile (CID 63179154) is 5-(4-piperidin-1-ylanilino)pentanenitrile.
What is the SMILES notation for 5-(4-piperidin-1-ylanilino)pentanenitrile?
The canonical SMILES for 5-(4-piperidin-1-ylanilino)pentanenitrile is N#CCCCCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 5-(4-piperidin-1-ylanilino)pentanenitrile?
The InChIKey is IBFNTPMZJFRGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-11-3-1-4-12-18-15-7-9-16(10-8-15)19-13-5-2-6-14-19/h7-10,18H,1-6,12-14H2.
What are the key properties of 5-(4-piperidin-1-ylanilino)pentanenitrile?
5-(4-piperidin-1-ylanilino)pentanenitrile has a molecular weight of 257.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylanilino)pentanenitrile is sourced from PubChem (CID 63179154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).