1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

C19H29N3O3 — CID 124941963

IUPAC1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(23)21-10-7-19(24,8-11-21)14-22-12-9-20-13-18(22)16-3-5-17(25-2)6-4-16/h3-6,18,20,24H,7-14H2,1-2H3/t18-/m1/s1
InChIKeyARCIPUJNCGCIBB-GOSISDBHSA-N
MW347.46 g/mol
LogP1.01
Rot. Bonds4

About 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone

1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 124941963) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
PubChem CID124941963
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone
SMILESCOc1ccc([C@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-15(23)21-10-7-19(24,8-11-21)14-22-12-9-20-13-18(22)16-3-5-17(25-2)6-4-16/h3-6,18,20,24H,7-14H2,1-2H3/t18-/m1/s1
InChIKeyARCIPUJNCGCIBB-GOSISDBHSA-N
XLogP1.01
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 125001743
1-[4-[(2S)-2-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 125005845
(2R)-1-benzyl-2-(4-methoxyphenyl)piperazine
CID 99906556
1-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124940745
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 125002367
4-[[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]oxan-4-ol
CID 124962591
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110109408
2-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]piperazine
CID 21331832
2-(4-methoxyphenyl)-1-(2-phenylpiperazin-1-yl)ethanone
CID 110109133
2-[[2-(4-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 110109340

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone (CID 124941963) is 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is COc1ccc([C@H]2CNCCN2CC2(O)CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is ARCIPUJNCGCIBB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(23)21-10-7-19(24,8-11-21)14-22-12-9-20-13-18(22)16-3-5-17(25-2)6-4-16/h3-6,18,20,24H,7-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone?
1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-4-[[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124941963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).