1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine

C16H25N3O2 — CID 61212967

IUPAC1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
SMILESCCCC(NC1CCCN(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O2/c1-3-6-16(17-14-8-5-10-18(2)12-14)13-7-4-9-15(11-13)19(20)21/h4,7,9,11,14,16-17H,3,5-6,8,10,12H2,1-2H3
InChIKeyPGPOFPIAVZVFAK-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.12
Rot. Bonds6

About 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine

1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine (PubChem CID 61212967) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
PubChem CID61212967
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine
SMILESCCCC(NC1CCCN(C)C1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H25N3O2/c1-3-6-16(17-14-8-5-10-18(2)12-14)13-7-4-9-15(11-13)19(20)21/h4,7,9,11,14,16-17H,3,5-6,8,10,12H2,1-2H3
InChIKeyPGPOFPIAVZVFAK-UHFFFAOYSA-N
XLogP3.12
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.12
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-methyl-N-[1-(3-nitrophenyl)propyl]pyrrolidin-3-amine
CID 61462195
N-[1-(3-nitrophenyl)butyl]cyclopropanamine
CID 43200341
N-[1-(3-nitrophenyl)butyl]oxolan-3-amine
CID 80717270
2,2-dimethyl-N-[1-(3-nitrophenyl)butyl]cyclopentan-1-amine
CID 79865885
5-[1-(3-nitrophenyl)butylamino]piperidin-2-one
CID 63663334
N-methyl-1-[1-(3-nitrophenyl)propyl]piperidin-3-amine
CID 62535959
1-(3-nitrophenyl)-N-(thian-4-ylmethyl)butan-1-amine
CID 115719931
2,5-dimethyl-N-[1-(3-nitrophenyl)butyl]pyrrol-1-amine
CID 79107733
1-benzyl-N-[1-(3-nitrophenyl)propyl]piperidin-4-amine
CID 119165383
2-[1-(3-nitrophenyl)butylamino]ethanol
CID 43151078
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-nitrophenyl)butan-1-amine
CID 81393267
N-(1,4-dithian-2-ylmethyl)-1-(3-nitrophenyl)butan-1-amine
CID 115727355

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine (CID 61212967) is 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine is CCCC(NC1CCCN(C)C1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine?
The InChIKey is PGPOFPIAVZVFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-6-16(17-14-8-5-10-18(2)12-14)13-7-4-9-15(11-13)19(20)21/h4,7,9,11,14,16-17H,3,5-6,8,10,12H2,1-2H3.
What are the key properties of 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine?
1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine has a molecular weight of 291.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-(3-nitrophenyl)butyl]piperidin-3-amine is sourced from PubChem (CID 61212967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).