2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride

C15H28Cl2N2O3 — CID 53422915

IUPAC2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
SMILESCl.Cl.O=C1C(CN2CCOCC2)CCC1CN1CCOCC1
InChIInChI=1S/C15H26N2O3.2ClH/c18-15-13(11-16-3-7-19-8-4-16)1-2-14(15)12-17-5-9-20-10-6-17;;/h13-14H,1-12H2;2*1H
InChIKeyHFGDGCHOFFECOG-UHFFFAOYSA-N
MW355.31 g/mol
LogP1.09
Rot. Bonds4

About 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride

2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride (PubChem CID 53422915) has the molecular formula C15H28Cl2N2O3 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride.

Molecular Properties

Compound Name2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
PubChem CID53422915
Molecular FormulaC15H28Cl2N2O3
Molecular Weight355.31 g/mol
Exact Mass354.15
IUPAC Name2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride
SMILESCl.Cl.O=C1C(CN2CCOCC2)CCC1CN1CCOCC1
InChIInChI=1S/C15H26N2O3.2ClH/c18-15-13(11-16-3-7-19-8-4-16)1-2-14(15)12-17-5-9-20-10-6-17;;/h13-14H,1-12H2;2*1H
InChIKeyHFGDGCHOFFECOG-UHFFFAOYSA-N
XLogP1.09
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(oxan-4-ylmethyl)morpholine
CID 122244931
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467296
4-(cyclohexylmethyl)morpholine
CID 641545
1-methyl-5-(morpholin-4-ylmethyl)-6,7-dihydro-5H-indazol-4-one
CID 86151351
7-(morpholin-4-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one chloride
CID 21228801
8-(morpholin-4-ylmethyl)-2,3,4,8,9,10-hexahydrobenzo[h][1,5]benzodioxepin-7-one
CID 3944688
1-methylsulfonyl-5-(morpholin-4-ylmethyl)pyrrolidin-2-one
CID 19987175
(3S)-7-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
CID 97355462
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
4-[(2-methylcyclobutyl)methyl]morpholine
CID 67036054
2-(morpholin-4-ylmethyl)-2,3-dihydropyran-6-one
CID 176969795
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride?
The IUPAC name of 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride (CID 53422915) is 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride.
What is the SMILES notation for 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride?
The canonical SMILES for 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride is Cl.Cl.O=C1C(CN2CCOCC2)CCC1CN1CCOCC1.
What is the InChIKey of 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride?
The InChIKey is HFGDGCHOFFECOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3.2ClH/c18-15-13(11-16-3-7-19-8-4-16)1-2-14(15)12-17-5-9-20-10-6-17;;/h13-14H,1-12H2;2*1H.
What are the key properties of 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride?
2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride has a molecular weight of 355.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(morpholin-4-ylmethyl)cyclopentan-1-one;dihydrochloride is sourced from PubChem (CID 53422915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).