piperidin-4-ylmethyl formate;hydrochloride

C7H14ClNO2 — CID 174937459

IUPACpiperidin-4-ylmethyl formate;hydrochloride
SMILESCl.O=COCC1CCNCC1
InChIInChI=1S/C7H13NO2.ClH/c9-6-10-5-7-1-3-8-4-2-7;/h6-8H,1-5H2;1H
InChIKeyYEHPOJWGYICXSP-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.58
Rot. Bonds3

About piperidin-4-ylmethyl formate;hydrochloride

piperidin-4-ylmethyl formate;hydrochloride (PubChem CID 174937459) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is piperidin-4-ylmethyl formate;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-ylmethyl formate;hydrochloride
PubChem CID174937459
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namepiperidin-4-ylmethyl formate;hydrochloride
SMILESCl.O=COCC1CCNCC1
InChIInChI=1S/C7H13NO2.ClH/c9-6-10-5-7-1-3-8-4-2-7;/h6-8H,1-5H2;1H
InChIKeyYEHPOJWGYICXSP-UHFFFAOYSA-N
XLogP0.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Piperidin-4-ylmethyl carbamate
CID 19787931
2-Piperidin-3-ylethyl formate
CID 53783381
Piperidin-4-ylmethyl formate
CID 54527558
1-Piperidin-4-ylpropyl formate
CID 57005138
Formyl piperidine-4-carboxylate
CID 57302878
Piperidin-4-ylmethyl hydrogen carbonate
CID 60099381
Formaldehyde;4-(methoxymethyl)piperidine
CID 141788229
Ethane;ethyl formate;4-methylpiperidine
CID 144570473
(3-Methylpiperidin-4-yl)methyl formate
CID 146493499
Piperidin-4-ylmethyl hypochlorite
CID 152343694
Ethyl formate;4-methylpiperidine
CID 160898712
Formic acid;piperidin-4-ylmethanol
CID 160930096

Frequently Asked Questions

What is the IUPAC name of piperidin-4-ylmethyl formate;hydrochloride?
The IUPAC name of piperidin-4-ylmethyl formate;hydrochloride (CID 174937459) is piperidin-4-ylmethyl formate;hydrochloride.
What is the SMILES notation for piperidin-4-ylmethyl formate;hydrochloride?
The canonical SMILES for piperidin-4-ylmethyl formate;hydrochloride is Cl.O=COCC1CCNCC1.
What is the InChIKey of piperidin-4-ylmethyl formate;hydrochloride?
The InChIKey is YEHPOJWGYICXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c9-6-10-5-7-1-3-8-4-2-7;/h6-8H,1-5H2;1H.
What are the key properties of piperidin-4-ylmethyl formate;hydrochloride?
piperidin-4-ylmethyl formate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-ylmethyl formate;hydrochloride is sourced from PubChem (CID 174937459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).