4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine

C16H24N2O3 — CID 2270709

IUPAC4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine
SMILESCC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-14-8-11-17(12-9-14)10-2-3-13-21-16-6-4-15(5-7-16)18(19)20/h4-7,14H,2-3,8-13H2,1H3
InChIKeyKLIDTYATYPHMNC-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.49
Rot. Bonds7

About 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine

4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine (PubChem CID 2270709) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine
PubChem CID2270709
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine
SMILESCC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C16H24N2O3/c1-14-8-11-17(12-9-14)10-2-3-13-21-16-6-4-15(5-7-16)18(19)20/h4-7,14H,2-3,8-13H2,1H3
InChIKeyKLIDTYATYPHMNC-UHFFFAOYSA-N
XLogP3.49
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Nitrophenetol
CID 7495
N-Methyl-2-(4-nitrophenoxy)-N-[2-(4-nitrophenyl)ethyl]ethanamine
CID 14645090
Benzene, 1-(hexyloxy)-4-nitro-
CID 84912
1-[5-(4-Nitrophenoxy)pentyl]pyrrolidine
CID 9925627
4-[(4-Nitro-phenoxy)-phenyl-methyl]-piperidine
CID 9926786
N,N-dimethyl-3-(4-nitrophenoxy)-3-(4-(3-(piperidin-1-yl)propoxy)phenyl)propan-1-amine
CID 24947572
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
1-(4-Methoxyphenyl)-4-(4-nitrophenyl)piperazine
CID 5134657
1,6-Bis(4-nitrophenoxy)hexane
CID 233200
1,4-Bis(4-nitrophenoxy)butane
CID 606604
1-Butoxy-4-nitrobenzene
CID 81658
p-Nitrophenyl dodecyl ether
CID 144094

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine?
The IUPAC name of 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine (CID 2270709) is 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine.
What is the SMILES notation for 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine?
The canonical SMILES for 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine is CC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine?
The InChIKey is KLIDTYATYPHMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-14-8-11-17(12-9-14)10-2-3-13-21-16-6-4-15(5-7-16)18(19)20/h4-7,14H,2-3,8-13H2,1H3.
What are the key properties of 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine?
4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine has a molecular weight of 292.38 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(4-nitrophenoxy)butyl]piperidine is sourced from PubChem (CID 2270709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).