[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid

C8H17N3O3 — CID 54447441

IUPAC[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid
SMILESO=C(O)NN1CCN(CCCO)CC1
InChIInChI=1S/C8H17N3O3/c12-7-1-2-10-3-5-11(6-4-10)9-8(13)14/h9,12H,1-7H2,(H,13,14)
InChIKeyWSNLQBABICDVAH-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.83
Rot. Bonds4

About [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid

[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid (PubChem CID 54447441) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid.

Molecular Properties

Compound Name[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid
PubChem CID54447441
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid
SMILESO=C(O)NN1CCN(CCCO)CC1
InChIInChI=1S/C8H17N3O3/c12-7-1-2-10-3-5-11(6-4-10)9-8(13)14/h9,12H,1-7H2,(H,13,14)
InChIKeyWSNLQBABICDVAH-UHFFFAOYSA-N
XLogP-0.83
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 163505577
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
CID 101041195
10-(4-methylpiperazin-1-yl)decan-1-ol;12-(4-methylpiperazin-1-yl)dodecan-1-ol
CID 22218533
methyl 3-[4-(6-hydroxyhexyl)piperazin-1-yl]propanoate
CID 113252132
methyl 3-[4-(5-hydroxypentyl)piperazin-1-yl]propanoate
CID 78918620
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
6-(aziridin-1-yl)hexanoic acid
CID 141385441

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid?
The IUPAC name of [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid (CID 54447441) is [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid.
What is the SMILES notation for [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid?
The canonical SMILES for [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid is O=C(O)NN1CCN(CCCO)CC1.
What is the InChIKey of [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid?
The InChIKey is WSNLQBABICDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O3/c12-7-1-2-10-3-5-11(6-4-10)9-8(13)14/h9,12H,1-7H2,(H,13,14).
What are the key properties of [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid?
[4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid has a molecular weight of 203.24 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypropyl)piperazin-1-yl]carbamic acid is sourced from PubChem (CID 54447441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).