[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

C17H31ClN2O3 — CID 119341852

IUPAC[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H30N2O3.ClH/c20-17(16-6-1-3-9-18-16)19-10-7-14(8-11-19)22-13-15-5-2-4-12-21-15;/h14-16,18H,1-13H2;1H
InChIKeyCPGNPMXMBWLXOK-UHFFFAOYSA-N
MW346.90 g/mol
LogP2.13
Rot. Bonds4

About [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride

[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (PubChem CID 119341852) has the molecular formula C17H31ClN2O3 and a molecular weight of 346.90 g/mol. Its IUPAC name is [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
PubChem CID119341852
Molecular FormulaC17H31ClN2O3
Molecular Weight346.90 g/mol
Exact Mass346.20
IUPAC Name[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCCN1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H30N2O3.ClH/c20-17(16-6-1-3-9-18-16)19-10-7-14(8-11-19)22-13-15-5-2-4-12-21-15;/h14-16,18H,1-13H2;1H
InChIKeyCPGNPMXMBWLXOK-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
[4-[[(2R)-oxan-2-yl]methoxy]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 124608319
3-[1-[(2R)-piperidine-2-carbonyl]piperidin-4-yl]oxypropanoic acid
CID 104913988
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
oxan-2-ylmethyl azepane-2-carboxylate
CID 64561712
3-amino-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119815521
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119815509
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119815515
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]hexane-1,5-dione
CID 126777502
oxolan-2-ylmethyl piperidine-2-carboxylate
CID 61279092
oxolan-2-ylmethyl (2R)-piperidine-2-carboxylate
CID 79034768
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879

Frequently Asked Questions

What is the IUPAC name of [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The IUPAC name of [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride (CID 119341852) is [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The canonical SMILES for [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is Cl.O=C(C1CCCCN1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
The InChIKey is CPGNPMXMBWLXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.ClH/c20-17(16-6-1-3-9-18-16)19-10-7-14(8-11-19)22-13-15-5-2-4-12-21-15;/h14-16,18H,1-13H2;1H.
What are the key properties of [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride?
[4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxan-2-ylmethoxy)piperidin-1-yl]-piperidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119341852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).