N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine

C16H25N3O2 — CID 60806659

IUPACN-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-2-12-18(15-7-10-17-11-8-15)13-9-14-3-5-16(6-4-14)19(20)21/h3-6,15,17H,2,7-13H2,1H3
InChIKeyLFVZEOBBIOMNSG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.60
Rot. Bonds7

About N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine

N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine (PubChem CID 60806659) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
PubChem CID60806659
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine
SMILESCCCN(CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1
InChIInChI=1S/C16H25N3O2/c1-2-12-18(15-7-10-17-11-8-15)13-9-14-3-5-16(6-4-14)19(20)21/h3-6,15,17H,2,7-13H2,1H3
InChIKeyLFVZEOBBIOMNSG-UHFFFAOYSA-N
XLogP2.60
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.60
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

2-(4-nitrophenyl)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119825202
N-[(3-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 60805967
N-methyl-2-(4-nitrophenyl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716950
N-[(3-chloro-4-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 120835447
N,N-bis(2-phenylethyl)piperidin-4-amine
CID 118109179
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304118
3-(3-nitrophenyl)-N-piperidin-4-yl-N-propylpropanamide
CID 119823365
ethane;1-nitro-4-propylbenzene
CID 123575523
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
N-[(5-nitrofuran-2-yl)methyl]-N-propylpyrrolidin-3-amine
CID 63301113

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine (CID 60806659) is N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine is CCCN(CCc1ccc([N+](=O)[O-])cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine?
The InChIKey is LFVZEOBBIOMNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-12-18(15-7-10-17-11-8-15)13-9-14-3-5-16(6-4-14)19(20)21/h3-6,15,17H,2,7-13H2,1H3.
What are the key properties of N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine?
N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine has a molecular weight of 291.39 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitrophenyl)ethyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60806659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).