3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine

C16H18ClNO — CID 17178023

IUPAC3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine
SMILESClc1ccc(OCC2CCCNC2)c2ccccc12
InChIInChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2
InChIKeyNXOSDRYWPZAGJR-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.87
Rot. Bonds3

About 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine

3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine (PubChem CID 17178023) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine.

Molecular Properties

Compound Name3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine
PubChem CID17178023
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine
SMILESClc1ccc(OCC2CCCNC2)c2ccccc12
InChIInChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2
InChIKeyNXOSDRYWPZAGJR-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263314
4-{3-[(3,4-Dichlorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263318
4-{3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263322
4-{3-[(1R)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263323
4-{3-[1-(3-Chlorophenyl)propoxy]-2-methylphenyl}piperidine
CID 25263324
4-(2-(3-Chlorophenoxy)phenyl)piperidine
CID 45483512
3-[(4-Chloro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 11324650
4-{3-[(3-Chlorophenyl)methoxy]-2-methylphenyl}piperidin-4-ol
CID 25263325
8-chloro-N-ethyl-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924817
[3-(4-Chloro-phenyl)-3-(naphthalen-1-yloxy)-propyl]-methyl-amine
CID 44359185
4-(5-Chloro-2-(4-fluorobenzyloxy)phenyl)piperidine
CID 45483429
Uts6P28D96
CID 12478008

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine?
The IUPAC name of 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine (CID 17178023) is 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine.
What is the SMILES notation for 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine?
The canonical SMILES for 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine is Clc1ccc(OCC2CCCNC2)c2ccccc12.
What is the InChIKey of 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine?
The InChIKey is NXOSDRYWPZAGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-15-7-8-16(14-6-2-1-5-13(14)15)19-11-12-4-3-9-18-10-12/h1-2,5-8,12,18H,3-4,9-11H2.
What are the key properties of 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine?
3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine has a molecular weight of 275.78 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloronaphthalen-1-yl)oxymethyl]piperidine is sourced from PubChem (CID 17178023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).