N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline

C14H21N3O2 — CID 106642155

IUPACN,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCc1c(N(C)CC2CCCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-11-13(7-5-8-14(11)17(18)19)16(2)10-12-6-3-4-9-15-12/h5,7-8,12,15H,3-4,6,9-10H2,1-2H3
InChIKeyUMFLVRYHKXAICS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.48
Rot. Bonds4

About N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline

N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline (PubChem CID 106642155) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline
PubChem CID106642155
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline
SMILESCc1c(N(C)CC2CCCCN2)cccc1[N+](=O)[O-]
InChIInChI=1S/C14H21N3O2/c1-11-13(7-5-8-14(11)17(18)19)16(2)10-12-6-3-4-9-15-12/h5,7-8,12,15H,3-4,6,9-10H2,1-2H3
InChIKeyUMFLVRYHKXAICS-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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

5-fluoro-N-methyl-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106642153
N,4-dimethyl-5-nitro-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 106642055
N-cyclopropyl-2-methyl-6-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641053
N-[(2-methyl-3-nitrophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615844
2-methyl-3-nitro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539824
2-nitro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619014
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 103114742
N-(azepan-2-ylmethyl)-2-fluoro-N-methylaniline
CID 64569973
2-methyl-3-nitro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541268
5-[methyl(pyrrolidin-2-ylmethyl)amino]-2-nitrobenzonitrile
CID 106618500
N-ethyl-3-fluoro-2-nitro-N-(piperidin-2-ylmethyl)aniline
CID 106641710
N-methyl-8-nitro-N-(pyrrolidin-2-ylmethyl)isoquinolin-5-amine
CID 106618745

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline (CID 106642155) is N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline is Cc1c(N(C)CC2CCCCN2)cccc1[N+](=O)[O-].
What is the InChIKey of N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is UMFLVRYHKXAICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11-13(7-5-8-14(11)17(18)19)16(2)10-12-6-3-4-9-15-12/h5,7-8,12,15H,3-4,6,9-10H2,1-2H3.
What are the key properties of N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline?
N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 263.34 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-nitro-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 106642155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).