1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine

C14H20ClN3O2 — CID 115305464

IUPAC1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(16-2)5-7-17(8-6-14)10-11-9-12(15)3-4-13(11)18(19)20/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyGVPXWOMRVZDPJG-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.82
Rot. Bonds4

About 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 115305464) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID115305464
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C14H20ClN3O2/c1-14(16-2)5-7-17(8-6-14)10-11-9-12(15)3-4-13(11)18(19)20/h3-4,9,16H,5-8,10H2,1-2H3
InChIKeyGVPXWOMRVZDPJG-UHFFFAOYSA-N
XLogP2.82
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.82
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

1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-4-ol
CID 80701975
[1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120771340
N-[[1-[(5-chloro-2-nitrophenyl)methyl]piperidin-4-yl]methyl]ethanamine
CID 79555368
1-[(5-chloro-2-nitrophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598857
1-[(5-chloro-2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917489
1-[(5-chloro-2-nitrophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867382
1-[(4-chloro-2-nitrophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923396
1-[(5-chloro-2-nitrophenyl)methyl]-4-methylpiperidin-3-amine
CID 79580403
4-benzyl-1-[(5-chloro-2-nitrophenyl)methyl]piperidine
CID 753940
1-(5-chloro-2-nitrophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735815
[4-[(5-chloro-2-nitrophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 75430648
1-[(5-chloro-2-nitrophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511012

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 115305464) is 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is GVPXWOMRVZDPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(16-2)5-7-17(8-6-14)10-11-9-12(15)3-4-13(11)18(19)20/h3-4,9,16H,5-8,10H2,1-2H3.
What are the key properties of 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-nitrophenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115305464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).