4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

C16H20ClNO — CID 18545185

IUPAC4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
SMILESCl.c1ccc2cc(COC3CCNCC3)ccc2c1
InChIInChI=1S/C16H19NO.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16;/h1-6,11,16-17H,7-10,12H2;1H
InChIKeyUQJIBHXBKMVOMX-UHFFFAOYSA-N
MW277.80 g/mol
LogP3.53
Rot. Bonds3

About 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride

4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (PubChem CID 18545185) has the molecular formula C16H20ClNO and a molecular weight of 277.80 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
PubChem CID18545185
Molecular FormulaC16H20ClNO
Molecular Weight277.80 g/mol
Exact Mass277.12
IUPAC Name4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride
SMILESCl.c1ccc2cc(COC3CCNCC3)ccc2c1
InChIInChI=1S/C16H19NO.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16;/h1-6,11,16-17H,7-10,12H2;1H
InChIKeyUQJIBHXBKMVOMX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The IUPAC name of 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride (CID 18545185) is 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride.
What is the SMILES notation for 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The canonical SMILES for 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is Cl.c1ccc2cc(COC3CCNCC3)ccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
The InChIKey is UQJIBHXBKMVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16;/h1-6,11,16-17H,7-10,12H2;1H.
What are the key properties of 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride?
4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethoxy)piperidine;hydrochloride is sourced from PubChem (CID 18545185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).