2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol

C19H37N3OS — CID 28957749

IUPAC2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(C3CCSCC3)C[C@@H]2CCO)CC1
InChIInChI=1S/C19H37N3OS/c1-16(2)20-8-3-18(4-9-20)22-11-10-21(15-19(22)5-12-23)17-6-13-24-14-7-17/h16-19,23H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyLRAIQUWIBQGROO-IBGZPJMESA-N
MW355.59 g/mol
LogP2.12
Rot. Bonds5

About 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol

2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol (PubChem CID 28957749) has the molecular formula C19H37N3OS and a molecular weight of 355.59 g/mol. Its IUPAC name is 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol
PubChem CID28957749
Molecular FormulaC19H37N3OS
Molecular Weight355.59 g/mol
Exact Mass355.27
IUPAC Name2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(C3CCSCC3)C[C@@H]2CCO)CC1
InChIInChI=1S/C19H37N3OS/c1-16(2)20-8-3-18(4-9-20)22-11-10-21(15-19(22)5-12-23)17-6-13-24-14-7-17/h16-19,23H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyLRAIQUWIBQGROO-IBGZPJMESA-N
XLogP2.12
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.59
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol (CID 28957749) is 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(C3CCSCC3)C[C@@H]2CCO)CC1.
What is the InChIKey of 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol?
The InChIKey is LRAIQUWIBQGROO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H37N3OS/c1-16(2)20-8-3-18(4-9-20)22-11-10-21(15-19(22)5-12-23)17-6-13-24-14-7-17/h16-19,23H,3-15H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol?
2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol has a molecular weight of 355.59 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(1-propan-2-ylpiperidin-4-yl)-4-(thian-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 28957749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).