4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride

C12H19ClN2O — CID 71637005

IUPAC4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
SMILESCl.c1cc(COCC2CCNCC2)ccn1
InChIInChI=1S/C12H18N2O.ClH/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;/h1-2,5-6,12,14H,3-4,7-10H2;1H
InChIKeyVSBNHVSTZLYGQS-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.02
Rot. Bonds4

About 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride

4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride (PubChem CID 71637005) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
PubChem CID71637005
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
SMILESCl.c1cc(COCC2CCNCC2)ccn1
InChIInChI=1S/C12H18N2O.ClH/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;/h1-2,5-6,12,14H,3-4,7-10H2;1H
InChIKeyVSBNHVSTZLYGQS-UHFFFAOYSA-N
XLogP2.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(3S)-piperidin-3-yl]methoxymethyl]pyridine
CID 94403087
2-bromo-4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride
CID 71636294
4-[(4-ethylphenyl)methoxymethyl]piperidine
CID 55060614
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
4-[(3,5-dimethylphenyl)methoxymethyl]piperidine
CID 62340390
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
3-[(4-iodophenyl)methoxymethyl]pyrrolidine
CID 56830526
3-chloro-6-(piperidin-4-ylmethoxymethyl)pyridazine;hydrochloride
CID 71639908
5-(piperidin-4-ylmethoxymethyl)-1,3-thiazole;hydrochloride
CID 71637010
piperidin-4-ylmethyl pyridine-4-carboxylate;hydrochloride
CID 53410155
4-(2-pyrrolidin-3-ylethyl)pyridine;dihydrochloride
CID 126845941
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The IUPAC name of 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride (CID 71637005) is 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride.
What is the SMILES notation for 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The canonical SMILES for 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride is Cl.c1cc(COCC2CCNCC2)ccn1.
What is the InChIKey of 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
The InChIKey is VSBNHVSTZLYGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.ClH/c1-5-13-6-2-11(1)9-15-10-12-3-7-14-8-4-12;/h1-2,5-6,12,14H,3-4,7-10H2;1H.
What are the key properties of 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride?
4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-4-ylmethoxymethyl)pyridine;hydrochloride is sourced from PubChem (CID 71637005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).