N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide

C10H21N3O2 — CID 87601203

IUPACN-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
SMILESO=CNCCCN1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c14-9-8-13-6-4-12(5-7-13)3-1-2-11-10-15/h10,14H,1-9H2,(H,11,15)
InChIKeyWEQBSUSFJJBMRJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP-1.27
Rot. Bonds7

About N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide

N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide (PubChem CID 87601203) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide.

Molecular Properties

Compound NameN-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
PubChem CID87601203
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
SMILESO=CNCCCN1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O2/c14-9-8-13-6-4-12(5-7-13)3-1-2-11-10-15/h10,14H,1-9H2,(H,11,15)
InChIKeyWEQBSUSFJJBMRJ-UHFFFAOYSA-N
XLogP-1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)hexyl]formamide
CID 167037670
5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanal
CID 142873436
N-[2-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]formamide
CID 87601468
N-[3-[1-(3-hydroxypropyl)piperidin-4-yl]propyl]formamide
CID 87600676
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol
CID 174186305
10-[4-(2-hydroxyethyl)piperazin-1-yl]decane-1-sulfonic acid
CID 132598884
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;dihydrochloride
CID 172776492
bis(2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid);dihydrochloride
CID 173116081
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide?
The IUPAC name of N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide (CID 87601203) is N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide.
What is the SMILES notation for N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide?
The canonical SMILES for N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide is O=CNCCCN1CCN(CCO)CC1.
What is the InChIKey of N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide?
The InChIKey is WEQBSUSFJJBMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c14-9-8-13-6-4-12(5-7-13)3-1-2-11-10-15/h10,14H,1-9H2,(H,11,15).
What are the key properties of N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide?
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide has a molecular weight of 215.30 g/mol, XLogP of -1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide is sourced from PubChem (CID 87601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).