piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride

C17H20ClNO2 — CID 68534065

IUPACpiperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2.ClH/c19-17(20-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16;/h1-7,13,18H,8-12H2;1H
InChIKeyUISXUORJVPUTJJ-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.42
Rot. Bonds3

About piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride

piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride (PubChem CID 68534065) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
PubChem CID68534065
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Namepiperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride
SMILESCl.O=C(OCC1CCNCC1)c1cccc2ccccc12
InChIInChI=1S/C17H19NO2.ClH/c19-17(20-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16;/h1-7,13,18H,8-12H2;1H
InChIKeyUISXUORJVPUTJJ-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)cyclohexyl]methyl naphthalene-1-carboxylate
CID 154360218
pyrrolidin-3-ylmethyl N-naphthalen-1-ylcarbamate
CID 79337024
cyclopropylmethyl 4-fluoronaphthalene-1-carboxylate
CID 114088299
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
1-(naphthalen-1-ylmethyl)-3-(piperidin-4-ylmethyl)urea
CID 22719668
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
pyrrolidin-3-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53409845
naphthalene-1-carbonyl 5-aminonaphthalene-1-carboxylate
CID 174648773

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride (CID 68534065) is piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride is Cl.O=C(OCC1CCNCC1)c1cccc2ccccc12.
What is the InChIKey of piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride?
The InChIKey is UISXUORJVPUTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c19-17(20-12-13-8-10-18-11-9-13)16-7-3-5-14-4-1-2-6-15(14)16;/h1-7,13,18H,8-12H2;1H.
What are the key properties of piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride?
piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride has a molecular weight of 305.80 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl naphthalene-1-carboxylate;hydrochloride is sourced from PubChem (CID 68534065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).