N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine

C12H16N4O2 — CID 67120811

IUPACN-[(3-nitrophenyl)methylideneamino]piperidin-1-amine
SMILESO=[N+]([O-])c1cccc(C=NNN2CCCCC2)c1
InChIInChI=1S/C12H16N4O2/c17-16(18)12-6-4-5-11(9-12)10-13-14-15-7-2-1-3-8-15/h4-6,9-10,14H,1-3,7-8H2
InChIKeyCEIOULBECWIJJX-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.92
Rot. Bonds4

About N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine

N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine (PubChem CID 67120811) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine.

Molecular Properties

Compound NameN-[(3-nitrophenyl)methylideneamino]piperidin-1-amine
PubChem CID67120811
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(3-nitrophenyl)methylideneamino]piperidin-1-amine
SMILESO=[N+]([O-])c1cccc(C=NNN2CCCCC2)c1
InChIInChI=1S/C12H16N4O2/c17-16(18)12-6-4-5-11(9-12)10-13-14-15-7-2-1-3-8-15/h4-6,9-10,14H,1-3,7-8H2
InChIKeyCEIOULBECWIJJX-UHFFFAOYSA-N
XLogP1.92
TPSA70.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(azepan-1-yl)-N-[(3-nitrophenyl)methylideneamino]-2-oxoacetamide
CID 2256302
N-[(E)-(3-nitrophenyl)methylideneamino]cyclopentanecarboxamide
CID 139230612
N-[(Z)-(3-nitrophenyl)methylideneamino]cyclopropanecarboxamide
CID 5420088
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
1-(2,6-dichlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
CID 19060054
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
[(3-nitrophenyl)methylideneamino]carbamodithioic acid
CID 1275156
5-nitro-N-[(3-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 171665795
N-[2-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925009
N-[(E)-(3-nitrophenyl)methylideneamino]-4H-pyrazol-4-amine
CID 21234803
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
3,4-dichloro-N-[(3-nitrophenyl)methylideneamino]aniline
CID 78596754

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine?
The IUPAC name of N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine (CID 67120811) is N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine.
What is the SMILES notation for N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine?
The canonical SMILES for N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine is O=[N+]([O-])c1cccc(C=NNN2CCCCC2)c1.
What is the InChIKey of N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine?
The InChIKey is CEIOULBECWIJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-16(18)12-6-4-5-11(9-12)10-13-14-15-7-2-1-3-8-15/h4-6,9-10,14H,1-3,7-8H2.
What are the key properties of N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine?
N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine has a molecular weight of 248.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrophenyl)methylideneamino]piperidin-1-amine is sourced from PubChem (CID 67120811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).