2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride

C17H24Cl2N2O2 — CID 146064641

IUPAC2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1Cl)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C17H23ClN2O2.ClH/c18-15-4-2-1-3-13(15)9-16(22)20-10-14(11-21)17(12-20)5-7-19-8-6-17;/h1-4,14,19,21H,5-12H2;1H
InChIKeyMVJCLQHXNDYDQP-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.12
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride

2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride (PubChem CID 146064641) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
PubChem CID146064641
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1Cl)N1CC(CO)C2(CCNCC2)C1
InChIInChI=1S/C17H23ClN2O2.ClH/c18-15-4-2-1-3-13(15)9-16(22)20-10-14(11-21)17(12-20)5-7-19-8-6-17;/h1-4,14,19,21H,5-12H2;1H
InChIKeyMVJCLQHXNDYDQP-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 65449559
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CID 62372874
2-(2-chlorophenyl)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone;hydrochloride
CID 119638440
2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
(5-bromofuran-2-yl)-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone;hydrochloride
CID 146071861
4-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 91921670
1-[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-chloro-4-methoxyphenyl)ethanone
CID 91925027
2-(2-chlorophenyl)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103727404
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CID 146039419
2-(2-chlorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662368
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
2-(2-chlorophenyl)-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride (CID 146064641) is 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1Cl)N1CC(CO)C2(CCNCC2)C1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride?
The InChIKey is MVJCLQHXNDYDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2.ClH/c18-15-4-2-1-3-13(15)9-16(22)20-10-14(11-21)17(12-20)5-7-19-8-6-17;/h1-4,14,19,21H,5-12H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride?
2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride has a molecular weight of 359.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;hydrochloride is sourced from PubChem (CID 146064641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).