4-[(1-chloronaphthalen-2-yl)methoxy]piperidine

C16H18ClNO — CID 67594155

IUPAC4-[(1-chloronaphthalen-2-yl)methoxy]piperidine
SMILESClc1c(COC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H18ClNO/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16/h1-6,14,18H,7-11H2
InChIKeyXPIGUGKHQPEGCE-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.76
Rot. Bonds3

About 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine

4-[(1-chloronaphthalen-2-yl)methoxy]piperidine (PubChem CID 67594155) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(1-chloronaphthalen-2-yl)methoxy]piperidine
PubChem CID67594155
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name4-[(1-chloronaphthalen-2-yl)methoxy]piperidine
SMILESClc1c(COC2CCNCC2)ccc2ccccc12
InChIInChI=1S/C16H18ClNO/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16/h1-6,14,18H,7-11H2
InChIKeyXPIGUGKHQPEGCE-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine?
The IUPAC name of 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine (CID 67594155) is 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine?
The canonical SMILES for 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine is Clc1c(COC2CCNCC2)ccc2ccccc12.
What is the InChIKey of 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine?
The InChIKey is XPIGUGKHQPEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c17-16-13(11-19-14-7-9-18-10-8-14)6-5-12-3-1-2-4-15(12)16/h1-6,14,18H,7-11H2.
What are the key properties of 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine?
4-[(1-chloronaphthalen-2-yl)methoxy]piperidine has a molecular weight of 275.78 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-chloronaphthalen-2-yl)methoxy]piperidine is sourced from PubChem (CID 67594155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).