1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride

C16H31ClN2O2 — CID 119814348

IUPAC1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCCOCC1CCN(C(=O)CC(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-20-12-14-6-9-18(11-14)16(19)10-13(2)15-4-7-17-8-5-15;/h13-15,17H,3-12H2,1-2H3;1H
InChIKeySXFSUYCKXNSFGM-UHFFFAOYSA-N
MW318.89 g/mol
LogP2.32
Rot. Bonds6

About 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride

1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride (PubChem CID 119814348) has the molecular formula C16H31ClN2O2 and a molecular weight of 318.89 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
PubChem CID119814348
Molecular FormulaC16H31ClN2O2
Molecular Weight318.89 g/mol
Exact Mass318.21
IUPAC Name1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
SMILESCCOCC1CCN(C(=O)CC(C)C2CCNCC2)C1.Cl
InChIInChI=1S/C16H30N2O2.ClH/c1-3-20-12-14-6-9-18(11-14)16(19)10-13(2)15-4-7-17-8-5-15;/h13-15,17H,3-12H2,1-2H3;1H
InChIKeySXFSUYCKXNSFGM-UHFFFAOYSA-N
XLogP2.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.89
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119786521
1-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119809794
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-[3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119896709
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
1-[2-(methoxymethyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 119793035
3-amino-1-[3-(ethoxymethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119786526
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride (CID 119814348) is 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride is CCOCC1CCN(C(=O)CC(C)C2CCNCC2)C1.Cl.
What is the InChIKey of 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
The InChIKey is SXFSUYCKXNSFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.ClH/c1-3-20-12-14-6-9-18(11-14)16(19)10-13(2)15-4-7-17-8-5-15;/h13-15,17H,3-12H2,1-2H3;1H.
What are the key properties of 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride?
1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride has a molecular weight of 318.89 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)pyrrolidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119814348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).