1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride

C14H29Cl2N3O2 — CID 66999280

IUPAC1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride
SMILESCC1NCCN(CCCN2CC[C@H](C)[C@H](O)C2)C1=O.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-11-4-8-16(10-13(11)18)6-3-7-17-9-5-15-12(2)14(17)19;;/h11-13,15,18H,3-10H2,1-2H3;2*1H/t11-,12?,13+;;/m0../s1
InChIKeyLCWJZFNHBYPOTC-WSOSZLENSA-N
MW342.31 g/mol
LogP0.74
Rot. Bonds4

About 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride

1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride (PubChem CID 66999280) has the molecular formula C14H29Cl2N3O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride
PubChem CID66999280
Molecular FormulaC14H29Cl2N3O2
Molecular Weight342.31 g/mol
Exact Mass341.16
IUPAC Name1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride
SMILESCC1NCCN(CCCN2CC[C@H](C)[C@H](O)C2)C1=O.Cl.Cl
InChIInChI=1S/C14H27N3O2.2ClH/c1-11-4-8-16(10-13(11)18)6-3-7-17-9-5-15-12(2)14(17)19;;/h11-13,15,18H,3-10H2,1-2H3;2*1H/t11-,12?,13+;;/m0../s1
InChIKeyLCWJZFNHBYPOTC-WSOSZLENSA-N
XLogP0.74
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride with MolForge

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Related Compounds

4-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
CID 68540290
3-methyl-1-nonylpiperazin-2-one
CID 63608174
1-(3-methoxypropyl)-3-methylpiperazin-2-one
CID 63608171
1-(2-butoxyethyl)-3-methylpiperazin-2-one
CID 63601407
1-(3-ethylsulfonylpropyl)-3-methylpiperazin-2-one
CID 65097276
1-(3-bromopropyl)-4-methylpiperidin-3-ol
CID 102964330
(3S)-1-[4-[(3S)-3-hydroxy-4,4-dimethylpiperidin-1-yl]-4-oxobutyl]-3-methylpiperazin-2-one
CID 67074453
3-methyl-1-[2-(methylamino)ethyl]piperazin-2-one
CID 115102147
1-(2-ethylsulfonylethyl)-3-methylpiperazin-2-one
CID 106729384
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
CID 83160675
1-[2-(2-chloroethoxy)ethyl]-4-methylpiperidin-3-ol
CID 102964300
4-methyl-1-(3-piperazin-1-ylpropyl)imidazolidin-2-one
CID 116980787

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride?
The IUPAC name of 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride (CID 66999280) is 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride.
What is the SMILES notation for 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride?
The canonical SMILES for 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride is CC1NCCN(CCCN2CC[C@H](C)[C@H](O)C2)C1=O.Cl.Cl.
What is the InChIKey of 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride?
The InChIKey is LCWJZFNHBYPOTC-WSOSZLENSA-N. The full InChI is InChI=1S/C14H27N3O2.2ClH/c1-11-4-8-16(10-13(11)18)6-3-7-17-9-5-15-12(2)14(17)19;;/h11-13,15,18H,3-10H2,1-2H3;2*1H/t11-,12?,13+;;/m0../s1.
What are the key properties of 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride?
1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride has a molecular weight of 342.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]propyl]-3-methylpiperazin-2-one;dihydrochloride is sourced from PubChem (CID 66999280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).