2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol

C13H26N2O — CID 134341384

IUPAC2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1C(C)(C)O
InChIInChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyCSMRTBKUWLAJMT-UBNQGINQSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds2

About 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol

2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol (PubChem CID 134341384) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
PubChem CID134341384
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
SMILESC[C@@H]1CNCC[C@@H]1N1CCCC1C(C)(C)O
InChIInChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11+,12?/m1/s1
InChIKeyCSMRTBKUWLAJMT-UBNQGINQSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-1-[(3S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol
CID 134339327
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963
4-[(2S)-2-(2-methoxyethyl)pyrrolidin-1-yl]-3-methylpiperidine
CID 134335422
3-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propanoic acid
CID 134339511
(2R)-2-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]cyclopropane-1-carboxylic acid
CID 134324824
(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidine
CID 67315323
3-methyl-4-piperidin-1-ylpiperidine
CID 18457680
(3S,4R)-3-methyl-4-pyrrolidin-1-ylpiperidine;dihydrochloride
CID 67315320
methyl 3-[(2S)-1-(3-methylpiperidin-4-yl)pyrrolidin-2-yl]butanoate
CID 134324864
4-methyl-3-(2-methylpyrrolidin-1-yl)piperidine
CID 66271783
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
CID 59401779
ethane;5-methyl-2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-d][1,4]diazepine
CID 176948108

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol (CID 134341384) is 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol is C[C@@H]1CNCC[C@@H]1N1CCCC1C(C)(C)O.
What is the InChIKey of 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
The InChIKey is CSMRTBKUWLAJMT-UBNQGINQSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10-9-14-7-6-11(10)15-8-4-5-12(15)13(2,3)16/h10-12,14,16H,4-9H2,1-3H3/t10-,11+,12?/m1/s1.
What are the key properties of 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol?
2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3R,4S)-3-methylpiperidin-4-yl]pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 134341384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).