N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide

C13H17N3O — CID 118895796

IUPACN-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide
SMILESO=NN=C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C13H17N3O/c17-15-14-13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyOQCDCCXLKLTQPR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.45
Rot. Bonds4

About N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide

N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide (PubChem CID 118895796) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide
PubChem CID118895796
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide
SMILESO=NN=C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C13H17N3O/c17-15-14-13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyOQCDCCXLKLTQPR-UHFFFAOYSA-N
XLogP2.45
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methylidene-1-(2-phenylethyl)piperidine
CID 58902713
methoxymethane;1-(2-phenylethyl)piperidin-4-one
CID 91011743
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
(1R)-2,2-dichloro-1-methyl-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]cyclopropane-1-carboxamide
CID 27520078
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
methane;4-(2-phenylethyl)morpholine
CID 143698819
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
N-[1,3-bis(2-phenylethyl)benzimidazol-2-ylidene]nitrous amide
CID 10044674
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1,4-bis(2-phenylethyl)piperidine
CID 86059939
1-tert-butyl-4-(2-phenylethyl)piperazine
CID 21132134
N-phenyl-2-[1-(2-phenylethyl)piperidin-4-ylidene]acetamide
CID 11151370

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide (CID 118895796) is N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide is O=NN=C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide?
The InChIKey is OQCDCCXLKLTQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-15-14-13-7-10-16(11-8-13)9-6-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide?
N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide has a molecular weight of 231.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-ylidene]nitrous amide is sourced from PubChem (CID 118895796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).