(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol

C20H39NOSi — CID 154603507

IUPAC(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol
SMILESC[Si](C[C@@H](O)[C@@H]1CCCCN1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H39NOSi/c1-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20(22)19-14-8-9-15-21-19/h17-22H,2-16H2,1H3/t19-,20+/m0/s1
InChIKeyHKJMFAUVTVALEJ-VQTJNVASSA-N
MW337.62 g/mol
LogP5.24
Rot. Bonds5

About (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol

(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol (PubChem CID 154603507) has the molecular formula C20H39NOSi and a molecular weight of 337.62 g/mol. Its IUPAC name is (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol
PubChem CID154603507
Molecular FormulaC20H39NOSi
Molecular Weight337.62 g/mol
Exact Mass337.28
IUPAC Name(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol
SMILESC[Si](C[C@@H](O)[C@@H]1CCCCN1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H39NOSi/c1-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20(22)19-14-8-9-15-21-19/h17-22H,2-16H2,1H3/t19-,20+/m0/s1
InChIKeyHKJMFAUVTVALEJ-VQTJNVASSA-N
XLogP5.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.62
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
(1S)-2-[methyl-di(propan-2-yl)silyl]-1-[(2S)-pyrrolidin-2-yl]ethanol;sulfane
CID 167554400
1-pyrrolidin-2-ylpropan-1-ol;hydrochloride
CID 172641162
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-piperidin-2-ylethanol
CID 106634659
1-piperidin-2-ylhexadecan-1-ol
CID 23497732
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
(1R)-2-(dimethylamino)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 138485490
(2R)-2-propan-2-ylazepane
CID 7048221
(1S)-2-[dimethyl(phenyl)-λ4-sulfanyl]-1-[(2S)-piperidin-2-yl]ethanol
CID 155010585
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028
(1S)-2-amino-1-pyrrolidin-2-ylethanol
CID 155010732
2-methoxy-1-[(2R)-pyrrolidin-2-yl]ethanol
CID 164662041

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol?
The IUPAC name of (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol (CID 154603507) is (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol is C[Si](C[C@@H](O)[C@@H]1CCCCN1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol?
The InChIKey is HKJMFAUVTVALEJ-VQTJNVASSA-N. The full InChI is InChI=1S/C20H39NOSi/c1-23(17-10-4-2-5-11-17,18-12-6-3-7-13-18)16-20(22)19-14-8-9-15-21-19/h17-22H,2-16H2,1H3/t19-,20+/m0/s1.
What are the key properties of (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol?
(1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol has a molecular weight of 337.62 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[dicyclohexyl(methyl)silyl]-1-[(2S)-piperidin-2-yl]ethanol is sourced from PubChem (CID 154603507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).