N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine

C14H21N3O2 — CID 43222290

IUPACN-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)17(18)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyOBIQSJSOPRGMAH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.88
Rot. Bonds4

About N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine

N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine (PubChem CID 43222290) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
PubChem CID43222290
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
SMILESCC(C)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)17(18)19/h3-6,11-12,15H,7-10H2,1-2H3
InChIKeyOBIQSJSOPRGMAH-UHFFFAOYSA-N
XLogP2.88
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
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

N-(4-bromo-2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43222294
N-(4-bromo-2-nitrophenyl)-1-propan-2-ylazepan-4-amine
CID 65073262
N-(4-methoxycyclohexyl)-2-nitroaniline
CID 113414363
N-(2-nitrophenyl)-1-propylsulfonylpiperidin-4-amine
CID 60503125
2-nitro-N-(3-propan-2-ylcyclohexyl)aniline
CID 107448138
N-(4-fluoro-3-nitrophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43719255
N-(2-nitrophenyl)-1,1-dioxothian-4-amine
CID 43615402
4-methyl-4-[4-(2-nitroanilino)piperidin-1-yl]cyclohexan-1-ol
CID 143542611
2-N,2-N-dimethyl-1-N-(1-propan-2-ylpiperidin-4-yl)benzene-1,2-diamine
CID 43726465
N-(2-methoxyphenyl)-1-propan-2-ylpiperidin-4-amine
CID 5131485
N-(3-methoxycyclobutyl)-2-nitroaniline
CID 104576705
4-(cyclopropylamino)-N-methyl-3-nitro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134047047

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine (CID 43222290) is N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine is CC(C)N1CCC(Nc2ccccc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
The InChIKey is OBIQSJSOPRGMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)16-9-7-12(8-10-16)15-13-5-3-4-6-14(13)17(18)19/h3-6,11-12,15H,7-10H2,1-2H3.
What are the key properties of N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine?
N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 43222290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).