2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone

C14H27N3O2 — CID 106618152

IUPAC2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CN(CCO)CC1CCCN1)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c18-10-9-16(11-13-5-4-6-15-13)12-14(19)17-7-2-1-3-8-17/h13,15,18H,1-12H2
InChIKeyCGRIHDFCCVSKSD-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.05
Rot. Bonds6

About 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone (PubChem CID 106618152) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
PubChem CID106618152
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CN(CCO)CC1CCCN1)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c18-10-9-16(11-13-5-4-6-15-13)12-14(19)17-7-2-1-3-8-17/h13,15,18H,1-12H2
InChIKeyCGRIHDFCCVSKSD-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[bis(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60686615
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
CID 106636149
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106615332
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-[ethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 60685851
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone (CID 106618152) is 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone is O=C(CN(CCO)CC1CCCN1)N1CCCCC1.
What is the InChIKey of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is CGRIHDFCCVSKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-10-9-16(11-13-5-4-6-15-13)12-14(19)17-7-2-1-3-8-17/h13,15,18H,1-12H2.
What are the key properties of 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone?
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 269.39 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 106618152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).