4-(piperidin-4-yloxyamino)benzonitrile

C12H15N3O — CID 87995078

IUPAC4-(piperidin-4-yloxyamino)benzonitrile
SMILESN#Cc1ccc(NOC2CCNCC2)cc1
InChIInChI=1S/C12H15N3O/c13-9-10-1-3-11(4-2-10)15-16-12-5-7-14-8-6-12/h1-4,12,14-15H,5-8H2
InChIKeySUFNVKNQTGKEKX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.65
Rot. Bonds3

About 4-(piperidin-4-yloxyamino)benzonitrile

4-(piperidin-4-yloxyamino)benzonitrile (PubChem CID 87995078) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(piperidin-4-yloxyamino)benzonitrile.

Molecular Properties

Compound Name4-(piperidin-4-yloxyamino)benzonitrile
PubChem CID87995078
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(piperidin-4-yloxyamino)benzonitrile
SMILESN#Cc1ccc(NOC2CCNCC2)cc1
InChIInChI=1S/C12H15N3O/c13-9-10-1-3-11(4-2-10)15-16-12-5-7-14-8-6-12/h1-4,12,14-15H,5-8H2
InChIKeySUFNVKNQTGKEKX-UHFFFAOYSA-N
XLogP1.65
TPSA57.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-piperidin-4-yloxyaniline
CID 87994518
N-(4-cyanophenyl)-3-piperidin-4-yloxypropanamide
CID 63875090
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788
N-(4-cyanophenyl)formamide;4-methylpiperidine
CID 175001445
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
4-(piperidin-4-ylmethyl)benzonitrile
CID 11644367
1-(4-cyanophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436695
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
4-(oxan-4-ylamino)benzonitrile
CID 43608433
2-(3-piperidin-4-yloxypropylamino)pyridine-4-carbonitrile
CID 63870014
N-(4-cyanophenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607310

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-yloxyamino)benzonitrile?
The IUPAC name of 4-(piperidin-4-yloxyamino)benzonitrile (CID 87995078) is 4-(piperidin-4-yloxyamino)benzonitrile.
What is the SMILES notation for 4-(piperidin-4-yloxyamino)benzonitrile?
The canonical SMILES for 4-(piperidin-4-yloxyamino)benzonitrile is N#Cc1ccc(NOC2CCNCC2)cc1.
What is the InChIKey of 4-(piperidin-4-yloxyamino)benzonitrile?
The InChIKey is SUFNVKNQTGKEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-9-10-1-3-11(4-2-10)15-16-12-5-7-14-8-6-12/h1-4,12,14-15H,5-8H2.
What are the key properties of 4-(piperidin-4-yloxyamino)benzonitrile?
4-(piperidin-4-yloxyamino)benzonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-yloxyamino)benzonitrile is sourced from PubChem (CID 87995078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).