3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride

C21H28ClNO — CID 3060750

IUPAC3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(CN1CCCC1)CC(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-18(17-22-14-8-9-15-22)16-21(23,19-10-4-2-5-11-19)20-12-6-3-7-13-20;/h2-7,10-13,18,23H,8-9,14-17H2,1H3;1H
InChIKeyUAWPTSFXMQTSCA-UHFFFAOYSA-N
MW345.91 g/mol
LogP4.47
Rot. Bonds6

About 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride

3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride (PubChem CID 3060750) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
PubChem CID3060750
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC Name3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
SMILESCC(CN1CCCC1)CC(O)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-18(17-22-14-8-9-15-22)16-21(23,19-10-4-2-5-11-19)20-12-6-3-7-13-20;/h2-7,10-13,18,23H,8-9,14-17H2,1H3;1H
InChIKeyUAWPTSFXMQTSCA-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.91
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
4-(4-hydroxypiperidin-1-yl)-1,1-diphenylbutane-1,3-diol
CID 171986918
3-methoxy-1,1-diphenylbutan-1-ol
CID 13380056
1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
CID 70478390
N'-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenecarboximidamide
CID 63181616
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
5-methyl-4,4-diphenyl-6-piperidin-1-ylhexan-3-imine
CID 3030528
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
CID 11972143
1-[(2R)-2-phenoxypropyl]pyrrolidine
CID 142952831

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride (CID 3060750) is 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride is CC(CN1CCCC1)CC(O)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is UAWPTSFXMQTSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-18(17-22-14-8-9-15-22)16-21(23,19-10-4-2-5-11-19)20-12-6-3-7-13-20;/h2-7,10-13,18,23H,8-9,14-17H2,1H3;1H.
What are the key properties of 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride?
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 3060750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).