5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline

C15H22ClN3O2 — CID 104667858

IUPAC5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(C)CC1CCCCN1
InChIInChI=1S/C15H22ClN3O2/c1-10-7-15(19(20)21)13(16)9-14(10)18-11(2)8-12-5-3-4-6-17-12/h7,9,11-12,17-18H,3-6,8H2,1-2H3
InChIKeyYEPYDHVZEBPFNP-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.89
Rot. Bonds5

About 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline

5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 104667858) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID104667858
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(C)CC1CCCCN1
InChIInChI=1S/C15H22ClN3O2/c1-10-7-15(19(20)21)13(16)9-14(10)18-11(2)8-12-5-3-4-6-17-12/h7,9,11-12,17-18H,3-6,8H2,1-2H3
InChIKeyYEPYDHVZEBPFNP-UHFFFAOYSA-N
XLogP3.89
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.89
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'}

Analyze 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824
4-bromo-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79538410
4-fluoro-2-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79535891
2-methyl-3-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541268
3-nitro-4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenol
CID 79541053
4-bromo-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79767439
5-chloro-2,4-dimethoxy-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79537185
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
5-chloro-2-methyl-N-(6-methylheptan-2-yl)-4-nitroaniline
CID 115555788
4-[1-(azepan-2-yl)propan-2-ylamino]-3-methylbenzoic acid
CID 79541323
2-bromo-4-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540045

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 104667858) is 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(C)CC1CCCCN1.
What is the InChIKey of 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is YEPYDHVZEBPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-7-15(19(20)21)13(16)9-14(10)18-11(2)8-12-5-3-4-6-17-12/h7,9,11-12,17-18H,3-6,8H2,1-2H3.
What are the key properties of 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 311.81 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-4-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 104667858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).