2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

C15H31N3O — CID 106607106

IUPAC2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCN1CCC(N(CCO)CC2CCCN2)CC1
InChIInChI=1S/C15H31N3O/c1-2-8-17-9-5-15(6-10-17)18(11-12-19)13-14-4-3-7-16-14/h14-16,19H,2-13H2,1H3
InChIKeySFHBSPMNVCPKJG-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

About 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol

2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (PubChem CID 106607106) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
PubChem CID106607106
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
SMILESCCCN1CCC(N(CCO)CC2CCCN2)CC1
InChIInChI=1S/C15H31N3O/c1-2-8-17-9-5-15(6-10-17)18(11-12-19)13-14-4-3-7-16-14/h14-16,19H,2-13H2,1H3
InChIKeySFHBSPMNVCPKJG-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpyrrolidin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606838
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606511
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-methylpyrrolidin-2-one
CID 106617859
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
2-[(2,6-dimethylcyclohexyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606785
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603535
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol (CID 106607106) is 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is CCCN1CCC(N(CCO)CC2CCCN2)CC1.
What is the InChIKey of 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
The InChIKey is SFHBSPMNVCPKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-8-17-9-5-15(6-10-17)18(11-12-19)13-14-4-3-7-16-14/h14-16,19H,2-13H2,1H3.
What are the key properties of 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol?
2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propylpiperidin-4-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 106607106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).