[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol

C12H25N3O2 — CID 117012285

IUPAC[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
SMILESCNC1(CO)CCN(CCN2CCOCC2)C1
InChIInChI=1S/C12H25N3O2/c1-13-12(11-16)2-3-15(10-12)5-4-14-6-8-17-9-7-14/h13,16H,2-11H2,1H3
InChIKeyDQAMVUVAGCCCFU-UHFFFAOYSA-N
MW243.35 g/mol
LogP-1.03
Rot. Bonds5

About [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol

[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol (PubChem CID 117012285) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
PubChem CID117012285
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol
SMILESCNC1(CO)CCN(CCN2CCOCC2)C1
InChIInChI=1S/C12H25N3O2/c1-13-12(11-16)2-3-15(10-12)5-4-14-6-8-17-9-7-14/h13,16H,2-11H2,1H3
InChIKeyDQAMVUVAGCCCFU-UHFFFAOYSA-N
XLogP-1.03
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol (CID 117012285) is [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol is CNC1(CO)CCN(CCN2CCOCC2)C1.
What is the InChIKey of [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol?
The InChIKey is DQAMVUVAGCCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-13-12(11-16)2-3-15(10-12)5-4-14-6-8-17-9-7-14/h13,16H,2-11H2,1H3.
What are the key properties of [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol?
[3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol has a molecular weight of 243.35 g/mol, XLogP of -1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117012285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).