N-(2-chloro-4-nitrophenyl)piperidin-4-amine

C11H14ClN3O2 — CID 43345822

IUPACN-(2-chloro-4-nitrophenyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c12-10-7-9(15(16)17)1-2-11(10)14-8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2
InChIKeyDPKVMQDBURBQKJ-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.41
Rot. Bonds3

About N-(2-chloro-4-nitrophenyl)piperidin-4-amine

N-(2-chloro-4-nitrophenyl)piperidin-4-amine (PubChem CID 43345822) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is N-(2-chloro-4-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-nitrophenyl)piperidin-4-amine
PubChem CID43345822
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC NameN-(2-chloro-4-nitrophenyl)piperidin-4-amine
SMILESO=[N+]([O-])c1ccc(NC2CCNCC2)c(Cl)c1
InChIInChI=1S/C11H14ClN3O2/c12-10-7-9(15(16)17)1-2-11(10)14-8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2
InChIKeyDPKVMQDBURBQKJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-methylcyclohexyl)-4-nitroaniline
CID 43081290
N-(2-chloro-4-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61230646
N-(2-chloro-4-nitrophenyl)oxepan-4-amine
CID 65081631
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
2-chloro-N-(3,3-dimethylcyclopentyl)-4-nitroaniline
CID 80706096
2-chloro-4-nitro-N-(3-propan-2-ylcyclobutyl)aniline
CID 103561196
2-[4-(2-chloro-4-nitroanilino)piperidin-1-yl]acetonitrile
CID 63625562
2-chloro-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826236
2-chloro-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 63622331
N-(5-chloro-4-methyl-2-nitrophenyl)piperidin-4-amine
CID 70315784
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
4-(2-chloro-5-nitroanilino)cyclohexan-1-ol
CID 106593945

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-nitrophenyl)piperidin-4-amine?
The IUPAC name of N-(2-chloro-4-nitrophenyl)piperidin-4-amine (CID 43345822) is N-(2-chloro-4-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for N-(2-chloro-4-nitrophenyl)piperidin-4-amine?
The canonical SMILES for N-(2-chloro-4-nitrophenyl)piperidin-4-amine is O=[N+]([O-])c1ccc(NC2CCNCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-nitrophenyl)piperidin-4-amine?
The InChIKey is DPKVMQDBURBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c12-10-7-9(15(16)17)1-2-11(10)14-8-3-5-13-6-4-8/h1-2,7-8,13-14H,3-6H2.
What are the key properties of N-(2-chloro-4-nitrophenyl)piperidin-4-amine?
N-(2-chloro-4-nitrophenyl)piperidin-4-amine has a molecular weight of 255.70 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 43345822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).