[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol

C13H26N2O — CID 64867957

IUPAC[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(CN1CCCC1)CN1CCC(CO)C1
InChIInChI=1S/C13H26N2O/c1-12(8-14-5-2-3-6-14)9-15-7-4-13(10-15)11-16/h12-13,16H,2-11H2,1H3
InChIKeySBHLPPVSXYRMKT-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.03
Rot. Bonds5

About [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol

[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 64867957) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
PubChem CID64867957
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(CN1CCCC1)CN1CCC(CO)C1
InChIInChI=1S/C13H26N2O/c1-12(8-14-5-2-3-6-14)9-15-7-4-13(10-15)11-16/h12-13,16H,2-11H2,1H3
InChIKeySBHLPPVSXYRMKT-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]methanol
CID 112628032
[1-(2,3,3-trimethylbutyl)pyrrolidin-3-yl]methanol
CID 83146581
[(3S)-1-[(2S)-2,6-dimethylhept-5-enyl]piperidin-3-yl]methanol
CID 51980420
[1-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol
CID 53211509
[(3S)-1-(3-methylbutyl)pyrrolidin-3-yl]methanol
CID 42258964
[1-(2-ethylbutyl)piperidin-3-yl]methanol
CID 82931010
(3S)-4-[3-(hydroxymethyl)piperidin-1-yl]-3-methylbutan-2-one
CID 90039477
[1-(cyclohexylmethyl)pyrrolidin-3-yl]methanol
CID 44558451
[1-[(2S)-2-aminopropyl]piperidin-4-yl]methanol
CID 22689432
3-(hydroxymethyl)-N-(2-methyl-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 110900914
3-(4-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 115872854
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol (CID 64867957) is [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol is CC(CN1CCCC1)CN1CCC(CO)C1.
What is the InChIKey of [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is SBHLPPVSXYRMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(8-14-5-2-3-6-14)9-15-7-4-13(10-15)11-16/h12-13,16H,2-11H2,1H3.
What are the key properties of [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol?
[1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 64867957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).