(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride

C12H18ClNO2 — CID 22235333

IUPAC(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
SMILESCl.OC(O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12,14-15H,4,7-9H2;1H
InChIKeyULIIGCAHUXYFNZ-UHFFFAOYSA-N
MW243.73 g/mol
LogP1.38
Rot. Bonds3

About (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride

(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride (PubChem CID 22235333) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride.

Molecular Properties

Compound Name(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
PubChem CID22235333
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride
SMILESCl.OC(O)C1CCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12,14-15H,4,7-9H2;1H
InChIKeyULIIGCAHUXYFNZ-UHFFFAOYSA-N
XLogP1.38
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1-benzylpiperidin-2-yl)-phenylmethanol
CID 14816704
(1S)-1-[(2S)-1-benzylpyrrolidin-2-yl]-2-phenylethanethiol
CID 101430325
(2S)-1-benzyl-2-(dimethoxymethyl)pyrrolidine
CID 11715624
2-amino-2-(1-benzylpiperidin-2-yl)ethanol
CID 83982295
[(2R)-1-benzylpiperidin-2-yl]-hydroxymethanesulfonic acid;tungsten
CID 59075959
2-(1-benzylpyrrolidin-2-yl)-2-cyclopentylethanamine
CID 82378997
2-(1-benzylpiperidin-2-yl)propan-1-amine
CID 82390227
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
1-benzyl-N-methylpyrrolidin-2-amine;hydrochloride
CID 172758906
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride?
The IUPAC name of (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride (CID 22235333) is (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride.
What is the SMILES notation for (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride?
The canonical SMILES for (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride is Cl.OC(O)C1CCCN1Cc1ccccc1.
What is the InChIKey of (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride?
The InChIKey is ULIIGCAHUXYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2.ClH/c14-12(15)11-7-4-8-13(11)9-10-5-2-1-3-6-10;/h1-3,5-6,11-12,14-15H,4,7-9H2;1H.
What are the key properties of (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride?
(1-benzylpyrrolidin-2-yl)methanediol;hydrochloride has a molecular weight of 243.73 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrolidin-2-yl)methanediol;hydrochloride is sourced from PubChem (CID 22235333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).