3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride

C16H26ClNO — CID 11972143

IUPAC3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
SMILESCC(C)(C)C(O)(CN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-15(2,3)16(18,13-17-11-7-8-12-17)14-9-5-4-6-10-14;/h4-6,9-10,18H,7-8,11-13H2,1-3H3;1H
InChIKeyAXTYPZNJLGPKNY-UHFFFAOYSA-N
MW283.84 g/mol
LogP3.44
Rot. Bonds3

About 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride

3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride (PubChem CID 11972143) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
PubChem CID11972143
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride
SMILESCC(C)(C)C(O)(CN1CCCC1)c1ccccc1.Cl
InChIInChI=1S/C16H25NO.ClH/c1-15(2,3)16(18,13-17-11-7-8-12-17)14-9-5-4-6-10-14;/h4-6,9-10,18H,7-8,11-13H2,1-3H3;1H
InChIKeyAXTYPZNJLGPKNY-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
4,4-dimethyl-3-phenylpentane-1,3-diol
CID 135018843
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
2-methyl-2-phenyl-N-propan-2-yl-3-pyrrolidin-1-ylpropan-1-amine
CID 62262976
1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 62931095
1-(azepan-1-yl)-2-phenylhexan-2-amine
CID 43829768
3-(azocan-1-yl)-N-ethyl-2-methyl-2-phenylpropan-1-amine
CID 62262873
3-(azocan-1-yl)-2,2-dimethyl-1-phenylpropan-1-one
CID 63196246
1-[4-(2-hydroxy-3-methyl-2-phenylbutyl)piperazin-1-yl]-3-methyl-2-phenylbutan-2-ol
CID 167979498
2-(ethylamino)-2-phenyl-3-piperidin-1-ylpropan-1-ol
CID 64789866
2-phenyl-1-(1-pyrrolidin-1-ylpropan-2-ylamino)propan-2-ol
CID 62374500

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride?
The IUPAC name of 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride (CID 11972143) is 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride?
The canonical SMILES for 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride is CC(C)(C)C(O)(CN1CCCC1)c1ccccc1.Cl.
What is the InChIKey of 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride?
The InChIKey is AXTYPZNJLGPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-15(2,3)16(18,13-17-11-7-8-12-17)14-9-5-4-6-10-14;/h4-6,9-10,18H,7-8,11-13H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride?
3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-1-pyrrolidin-1-ylbutan-2-ol;hydrochloride is sourced from PubChem (CID 11972143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).