3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide

C12H25N3O — CID 43368010

IUPAC3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O/c1-2-10(9-12(13)14)15-7-4-3-5-11(15)6-8-16/h10-11,16H,2-9H2,1H3,(H3,13,14)
InChIKeyISEGNBCPXVDMOQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.33
Rot. Bonds6

About 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide

3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide (PubChem CID 43368010) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
PubChem CID43368010
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCCCC1CCO
InChIInChI=1S/C12H25N3O/c1-2-10(9-12(13)14)15-7-4-3-5-11(15)6-8-16/h10-11,16H,2-9H2,1H3,(H3,13,14)
InChIKeyISEGNBCPXVDMOQ-UHFFFAOYSA-N
XLogP1.33
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.33
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

3-[2-(2-hydroxyethyl)piperidin-1-yl]butanimidamide
CID 60914694
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentanimidamide
CID 43628265
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pentanimidamide
CID 102726631
3-(2-ethylazepan-1-yl)butanimidamide
CID 104690079
3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 43266529
3-(4-piperidin-1-ylpiperidin-1-yl)pentanimidamide
CID 61242438
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pentanimidamide
CID 43620437
3-(3-piperidin-1-ylpyrrolidin-1-yl)pentanimidamide
CID 63170287
3-(3,4-dihydroxypyrrolidin-1-yl)pentanimidamide
CID 106669793
3-(3-hydroxypyrrolidin-1-yl)pentanimidamide
CID 62943568
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
CID 66392705
2-[2-(2-hydroxyethyl)piperidin-1-yl]butanehydrazide
CID 63570647

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide (CID 43368010) is 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide is [H]/N=C(\N)CC(CC)N1CCCCC1CCO.
What is the InChIKey of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is ISEGNBCPXVDMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-10(9-12(13)14)15-7-4-3-5-11(15)6-8-16/h10-11,16H,2-9H2,1H3,(H3,13,14).
What are the key properties of 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide?
3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 43368010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).