4-(3-hydroxypropyl)piperazine-1-carboximidamide

C8H18N4O — CID 170081980

IUPAC4-(3-hydroxypropyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CCCO)CC1
InChIInChI=1S/C8H18N4O/c9-8(10)12-5-3-11(4-6-12)2-1-7-13/h13H,1-7H2,(H3,9,10)
InChIKeyODGGDQYYVCBHGB-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.12
Rot. Bonds3

About 4-(3-hydroxypropyl)piperazine-1-carboximidamide

4-(3-hydroxypropyl)piperazine-1-carboximidamide (PubChem CID 170081980) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(3-hydroxypropyl)piperazine-1-carboximidamide
PubChem CID170081980
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name4-(3-hydroxypropyl)piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(CCCO)CC1
InChIInChI=1S/C8H18N4O/c9-8(10)12-5-3-11(4-6-12)2-1-7-13/h13H,1-7H2,(H3,9,10)
InChIKeyODGGDQYYVCBHGB-UHFFFAOYSA-N
XLogP-1.12
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-propylpiperazine-1-carboximidamide
CID 18176782
4-(3-hydroxypropyl)piperazine-1-carboxamide
CID 138521354
3-[4-(3-hydroxypropyl)-1,4-diazepan-1-yl]propan-1-ol;hydrobromide
CID 70500350
4-(4-propylpiperazin-1-yl)butanimidamide
CID 24694384
4-methyl-1,4-diazepane-1-carboximidamide
CID 43209360
6-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2,2-dimethylhexanimidamide
CID 107223309
4-acetylpiperazine-1-carboximidamide;hydrochloride
CID 66718935
ethane;4-methyl-1,4-diazepane-1-carboximidamide
CID 142313225
3-[10-(3-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.3]pentadecan-4-yl]propan-1-ol
CID 101041195
bis(4-methylpiperazine-1-carboximidamide);sulfate
CID 20848838
carbamic acid;3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 70077869
4-propan-2-ylpiperazine-1-carboximidamide;dihydrochloride
CID 156599985

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)piperazine-1-carboximidamide?
The IUPAC name of 4-(3-hydroxypropyl)piperazine-1-carboximidamide (CID 170081980) is 4-(3-hydroxypropyl)piperazine-1-carboximidamide.
What is the SMILES notation for 4-(3-hydroxypropyl)piperazine-1-carboximidamide?
The canonical SMILES for 4-(3-hydroxypropyl)piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(CCCO)CC1.
What is the InChIKey of 4-(3-hydroxypropyl)piperazine-1-carboximidamide?
The InChIKey is ODGGDQYYVCBHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-8(10)12-5-3-11(4-6-12)2-1-7-13/h13H,1-7H2,(H3,9,10).
What are the key properties of 4-(3-hydroxypropyl)piperazine-1-carboximidamide?
4-(3-hydroxypropyl)piperazine-1-carboximidamide has a molecular weight of 186.26 g/mol, XLogP of -1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 170081980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).