(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol

C16H34N2O2 — CID 165045426

IUPAC(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC[C@@H](O)[C@@H]1CCCN1C.CC[C@H](O)[C@H]1CCCN1C
InChIInChI=1S/2C8H17NO/c2*1-3-8(10)7-5-4-6-9(7)2/h2*7-8,10H,3-6H2,1-2H3/t2*7-,8+/m10/s1
InChIKeyOUYFUJLQILUSSM-RXZNUWRWSA-N
MW286.46 g/mol
LogP1.70
Rot. Bonds4

About (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol

(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol (PubChem CID 165045426) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
PubChem CID165045426
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol
SMILESCC[C@@H](O)[C@@H]1CCCN1C.CC[C@H](O)[C@H]1CCCN1C
InChIInChI=1S/2C8H17NO/c2*1-3-8(10)7-5-4-6-9(7)2/h2*7-8,10H,3-6H2,1-2H3/t2*7-,8+/m10/s1
InChIKeyOUYFUJLQILUSSM-RXZNUWRWSA-N
XLogP1.70
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
ethane;methane;tetrakis([(2S)-1-methylpyrrolidin-2-yl]methanediol);tetrakis([(2R)-1-methylpyrrolidin-2-yl]methanediol)
CID 159344358
[3-hydroxy-3-(1-methylpiperidin-2-yl)-1-phosphonopropyl]phosphonic acid
CID 157374692
1-methyl-2-(2-methylpentan-3-yl)piperidine
CID 167033020
2-fluoro-2-(1-methylpyrrolidin-2-yl)ethanol
CID 105429072
1-[(2R)-2-(1-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 166414594
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837
(1S)-1-(1-methylpyrrolidin-2-yl)ethanamine
CID 59120846
hydroxy-[(2S)-1-methylpyrrolidin-2-yl]methanesulfonic acid;tungsten
CID 59075961
ethane;2-(1-ethoxyethyl)-1-methylpyrrolidine
CID 176920826
(2S)-2-dodecan-6-yl-1-methylpyrrolidine
CID 130410209
1-methyl-2-octan-4-ylpyrrolidine
CID 167172274

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol (CID 165045426) is (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol is CC[C@@H](O)[C@@H]1CCCN1C.CC[C@H](O)[C@H]1CCCN1C.
What is the InChIKey of (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol?
The InChIKey is OUYFUJLQILUSSM-RXZNUWRWSA-N. The full InChI is InChI=1S/2C8H17NO/c2*1-3-8(10)7-5-4-6-9(7)2/h2*7-8,10H,3-6H2,1-2H3/t2*7-,8+/m10/s1.
What are the key properties of (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol?
(1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-ol;(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 165045426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).