N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline

C16H23N3O2 — CID 106641222

IUPACN-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCc1ccc([N+](=O)[O-])cc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H23N3O2/c1-12-5-6-15(19(20)21)10-16(12)18(14-7-8-14)11-13-4-2-3-9-17-13/h5-6,10,13-14,17H,2-4,7-9,11H2,1H3
InChIKeyXXRODQDFIYHESO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.01
Rot. Bonds5

About N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline

N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106641222) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106641222
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCc1ccc([N+](=O)[O-])cc1N(CC1CCCCN1)C1CC1
InChIInChI=1S/C16H23N3O2/c1-12-5-6-15(19(20)21)10-16(12)18(14-7-8-14)11-13-4-2-3-9-17-13/h5-6,10,13-14,17H,2-4,7-9,11H2,1H3
InChIKeyXXRODQDFIYHESO-UHFFFAOYSA-N
XLogP3.01
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.01
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-cyclopropyl-2-iodo-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640984
2-bromo-N-cyclopropyl-4-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106640951
2-methyl-4-nitro-N-(piperidin-2-ylmethyl)-N-propan-2-ylaniline
CID 106641300
N-cyclopropyl-5-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641136
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-cyclopropyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600259
2-methyl-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619611
N-cyclopropyl-5-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106600034
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106618663
N-(2-methoxyethyl)-2-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620883
N-methyl-N-[(4-nitrophenyl)methyl]-1-piperidin-2-ylmethanamine
CID 106622922
N-cyclopropyl-3-fluoro-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106600163

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106641222) is N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline is Cc1ccc([N+](=O)[O-])cc1N(CC1CCCCN1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is XXRODQDFIYHESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-6-15(19(20)21)10-16(12)18(14-7-8-14)11-13-4-2-3-9-17-13/h5-6,10,13-14,17H,2-4,7-9,11H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline?
N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 289.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106641222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).