(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol

C9H18N2O — CID 129314168

IUPAC(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CN1CCCC1
InChIInChI=1S/C9H18N2O/c12-9-6-10-5-8(9)7-11-3-1-2-4-11/h8-10,12H,1-7H2/t8-,9+/m1/s1
InChIKeyIRLJTERTGGONOJ-BDAKNGLRSA-N
MW170.26 g/mol
LogP-0.34
Rot. Bonds2

About (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol

(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol (PubChem CID 129314168) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
PubChem CID129314168
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol
SMILESO[C@H]1CNC[C@@H]1CN1CCCC1
InChIInChI=1S/C9H18N2O/c12-9-6-10-5-8(9)7-11-3-1-2-4-11/h8-10,12H,1-7H2/t8-,9+/m1/s1
InChIKeyIRLJTERTGGONOJ-BDAKNGLRSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylpyrrolidin-3-yl)methyl]azepane
CID 63715689
cis-(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclopentan-1-ol
CID 10899101
2-(pyrrolidin-1-ylmethyl)cycloheptan-1-ol
CID 51345852
1-[[4-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidine
CID 42863556
(3R,4S)-4-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 121229170
(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
CID 11182838
(3S,4S)-4-ethylpyrrolidin-3-ol;hydrochloride
CID 90897311
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905
2-(azocan-1-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]acetamide;dihydrochloride
CID 154907305
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
1-[[(1R,2R)-2-(piperidin-1-ylmethyl)cyclohexyl]methyl]piperidine
CID 22812101
1-(aziridin-2-ylmethyl)piperidine
CID 21193250

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol (CID 129314168) is (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol is O[C@H]1CNC[C@@H]1CN1CCCC1.
What is the InChIKey of (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
The InChIKey is IRLJTERTGGONOJ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O/c12-9-6-10-5-8(9)7-11-3-1-2-4-11/h8-10,12H,1-7H2/t8-,9+/m1/s1.
What are the key properties of (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol?
(3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 129314168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).