4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol

C12H25N3O — CID 63703688

IUPAC4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol
SMILESCCN1CCC(N(C)C2CNCC2O)CC1
InChIInChI=1S/C12H25N3O/c1-3-15-6-4-10(5-7-15)14(2)11-8-13-9-12(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyZZWPYPFJRNIYSX-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.26
Rot. Bonds3

About 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol

4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol (PubChem CID 63703688) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol
PubChem CID63703688
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol
SMILESCCN1CCC(N(C)C2CNCC2O)CC1
InChIInChI=1S/C12H25N3O/c1-3-15-6-4-10(5-7-15)14(2)11-8-13-9-12(11)16/h10-13,16H,3-9H2,1-2H3
InChIKeyZZWPYPFJRNIYSX-UHFFFAOYSA-N
XLogP-0.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(1-methylpiperidin-3-yl)amino]pyrrolidin-3-ol
CID 63704738
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-(1-ethylpiperidin-4-yl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231042
4-(4-ethylpiperazin-1-yl)pyrrolidin-3-ol
CID 63704462
N-(1-ethylpiperidin-4-yl)-N,4-dimethylpyrrolidine-3-carboxamide
CID 55229194
1-ethyl-N-methyl-N-(pyrrolidin-3-ylmethyl)piperidin-4-amine
CID 62370363
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
CID 129371186
4-[methyl(2-pyrrolidin-1-ylethyl)amino]pyrrolidin-3-ol
CID 63702905
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
(3R,4R)-4-[cyclopentyl(ethyl)amino]pyrrolidin-3-ol;hydrochloride
CID 130905232

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol?
The IUPAC name of 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol (CID 63703688) is 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol?
The canonical SMILES for 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol is CCN1CCC(N(C)C2CNCC2O)CC1.
What is the InChIKey of 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol?
The InChIKey is ZZWPYPFJRNIYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15-6-4-10(5-7-15)14(2)11-8-13-9-12(11)16/h10-13,16H,3-9H2,1-2H3.
What are the key properties of 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol?
4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol has a molecular weight of 227.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpiperidin-4-yl)-methylamino]pyrrolidin-3-ol is sourced from PubChem (CID 63703688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).