2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol

C15H31N3O — CID 64791676

IUPAC2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
SMILESCCNC(CO)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-16-15(13-19)12-18-9-5-14(6-10-18)11-17-7-3-4-8-17/h14-16,19H,2-13H2,1H3
InChIKeyGCRUILUYLKYSBG-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.76
Rot. Bonds7

About 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol

2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol (PubChem CID 64791676) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
PubChem CID64791676
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol
SMILESCCNC(CO)CN1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H31N3O/c1-2-16-15(13-19)12-18-9-5-14(6-10-18)11-17-7-3-4-8-17/h14-16,19H,2-13H2,1H3
InChIKeyGCRUILUYLKYSBG-UHFFFAOYSA-N
XLogP0.76
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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 62997408
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
3-(4-ethylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64811056
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
3-(4-methylazepan-1-yl)-2-(propylamino)propan-1-ol
CID 64789180
2-(propylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanamide
CID 63009895
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
2-amino-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-ol
CID 64791262
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
3-methyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 113416111
1-(cyclohexylmethyl)piperidine;ethane;ethanol
CID 143571293

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol?
The IUPAC name of 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol (CID 64791676) is 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol.
What is the SMILES notation for 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol?
The canonical SMILES for 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol is CCNC(CO)CN1CCC(CN2CCCC2)CC1.
What is the InChIKey of 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol?
The InChIKey is GCRUILUYLKYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-16-15(13-19)12-18-9-5-14(6-10-18)11-17-7-3-4-8-17/h14-16,19H,2-13H2,1H3.
What are the key properties of 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol?
2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-ol is sourced from PubChem (CID 64791676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).