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

C17H31ClN2O3 — CID 119815525

IUPAC1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H30N2O3.ClH/c20-17(12-14-4-3-8-18-14)19-9-6-15(7-10-19)22-13-16-5-1-2-11-21-16;/h14-16,18H,1-13H2;1H
InChIKeyULKAMRXMRXFJNA-UHFFFAOYSA-N
MW346.90 g/mol
LogP2.13
Rot. Bonds5

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

1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (PubChem CID 119815525) has the molecular formula C17H31ClN2O3 and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
PubChem CID119815525
Molecular FormulaC17H31ClN2O3
Molecular Weight346.90 g/mol
Exact Mass346.20
IUPAC Name1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
SMILESCl.O=C(CC1CCCN1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C17H30N2O3.ClH/c20-17(12-14-4-3-8-18-14)19-9-6-15(7-10-19)22-13-16-5-1-2-11-21-16;/h14-16,18H,1-13H2;1H
InChIKeyULKAMRXMRXFJNA-UHFFFAOYSA-N
XLogP2.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The IUPAC name of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride (CID 119815525) is 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride.
What is the SMILES notation for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The canonical SMILES for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is Cl.O=C(CC1CCCN1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
The InChIKey is ULKAMRXMRXFJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.ClH/c20-17(12-14-4-3-8-18-14)19-9-6-15(7-10-19)22-13-16-5-1-2-11-21-16;/h14-16,18H,1-13H2;1H.
What are the key properties of 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride?
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride is sourced from PubChem (CID 119815525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).