[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium

C14H20ClNOY — CID 172620619

IUPAC[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium
SMILESCC1CC(CO)CN1CCc1cccc(Cl)c1.[Y]
InChIInChI=1S/C14H20ClNO.Y/c1-11-7-13(10-17)9-16(11)6-5-12-3-2-4-14(15)8-12;/h2-4,8,11,13,17H,5-7,9-10H2,1H3;
InChIKeyGJIOEGZDZAKIIS-UHFFFAOYSA-N
MW342.68 g/mol
LogP2.58
Rot. Bonds4

About [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium

[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium (PubChem CID 172620619) has the molecular formula C14H20ClNOY and a molecular weight of 342.68 g/mol. Its IUPAC name is [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium.

Molecular Properties

Compound Name[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium
PubChem CID172620619
Molecular FormulaC14H20ClNOY
Molecular Weight342.68 g/mol
Exact Mass342.03
IUPAC Name[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium
SMILESCC1CC(CO)CN1CCc1cccc(Cl)c1.[Y]
InChIInChI=1S/C14H20ClNO.Y/c1-11-7-13(10-17)9-16(11)6-5-12-3-2-4-14(15)8-12;/h2-4,8,11,13,17H,5-7,9-10H2,1H3;
InChIKeyGJIOEGZDZAKIIS-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589289
[4-[2-(3-chlorophenyl)ethyl]piperazin-2-yl]methanol
CID 83730119
1-benzyl-N-(3-chlorophenyl)-5-methylpyrrolidin-3-amine
CID 130528224
3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
[1-[2-(3-chlorophenyl)ethyl]-4-(propan-2-yloxymethyl)pyrrolidin-3-yl]methanol
CID 172620464
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
3-(3-chlorophenyl)-1-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 110629171
1-[2-(3-chlorophenyl)ethyl]-3-(methoxymethyl)-4-methylpyrrolidine
CID 174251789
[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788253
[(3R)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]methanol
CID 40514299
[(3S,4S)-1-[2-(3-chlorophenyl)ethyl]-4-[(4-methylphenoxy)methyl]pyrrolidin-3-yl]methanol
CID 174252430
(3R,7R,8aS)-2-[(3-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 95857054

Frequently Asked Questions

What is the IUPAC name of [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium?
The IUPAC name of [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium (CID 172620619) is [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium.
What is the SMILES notation for [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium?
The canonical SMILES for [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium is CC1CC(CO)CN1CCc1cccc(Cl)c1.[Y].
What is the InChIKey of [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium?
The InChIKey is GJIOEGZDZAKIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.Y/c1-11-7-13(10-17)9-16(11)6-5-12-3-2-4-14(15)8-12;/h2-4,8,11,13,17H,5-7,9-10H2,1H3;.
What are the key properties of [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium?
[1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium has a molecular weight of 342.68 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3-chlorophenyl)ethyl]-5-methylpyrrolidin-3-yl]methanol;yttrium is sourced from PubChem (CID 172620619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).