1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine

C20H25ClN2OS — CID 95877254

IUPAC1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1
InChIInChI=1S/C20H25ClN2OS/c21-17-5-3-16(4-6-17)14-22-9-11-23(12-10-22)15-18-7-8-20(25-18)19-2-1-13-24-19/h3-8,19H,1-2,9-15H2/t19-/m0/s1
InChIKeySXGNZWYUTFJDJU-IBGZPJMESA-N
MW376.95 g/mol
LogP4.57
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine

1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine (PubChem CID 95877254) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
PubChem CID95877254
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
SMILESClc1ccc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1
InChIInChI=1S/C20H25ClN2OS/c21-17-5-3-16(4-6-17)14-22-9-11-23(12-10-22)15-18-7-8-20(25-18)19-2-1-13-24-19/h3-8,19H,1-2,9-15H2/t19-/m0/s1
InChIKeySXGNZWYUTFJDJU-IBGZPJMESA-N
XLogP4.57
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethylsulfonyl-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 131907476
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
CID 77084296
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
CID 95143429
1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56749490
9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126433881
5-methyl-1'-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72854874
[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
CID 45227943
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
[4-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 99930138
5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 99946534

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine (CID 95877254) is 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine is Clc1ccc(CN2CCN(Cc3ccc([C@@H]4CCCO4)s3)CC2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine?
The InChIKey is SXGNZWYUTFJDJU-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25ClN2OS/c21-17-5-3-16(4-6-17)14-22-9-11-23(12-10-22)15-18-7-8-20(25-18)19-2-1-13-24-19/h3-8,19H,1-2,9-15H2/t19-/m0/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine?
1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine has a molecular weight of 376.95 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 95877254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).