N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide

C9H19N2O2+ — CID 54416795

IUPACN-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide
SMILESC[N+]1(CCO)CCCCC1NC=O
InChIInChI=1S/C9H18N2O2/c1-11(6-7-12)5-3-2-4-9(11)10-8-13/h8-9,12H,2-7H2,1H3/p+1
InChIKeyXDFVSMTYVSCFEU-UHFFFAOYSA-O
MW187.26 g/mol
LogP-0.32
Rot. Bonds4

About N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide

N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide (PubChem CID 54416795) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide
PubChem CID54416795
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide
SMILESC[N+]1(CCO)CCCCC1NC=O
InChIInChI=1S/C9H18N2O2/c1-11(6-7-12)5-3-2-4-9(11)10-8-13/h8-9,12H,2-7H2,1H3/p+1
InChIKeyXDFVSMTYVSCFEU-UHFFFAOYSA-O
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 57489402
N-butyl-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 6457939
1-(2-Hydroxyethyl)-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 71860781
(3S,4S)-3-fluoro-N-(2-hydroxyethyl)-4-methylpiperidine-1-carboxamide
CID 156329453
1-Hexyl-3-(2-hydroxyethyl)urea
CID 21270271
N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide
CID 103731761
[4-(2-hydroxyethyl)piperazinyl]-N-propylcarboxamide
CID 6459269
N-pentylmorpholine-4-carboxamide
CID 4984479
Urea, N,N-bis(2-hydroxyethyl)-N'-propyl-
CID 11615318
1-[3-(2-Hydroxypropylamino)propyl]-1,3-diazinan-2-one
CID 18340100
1-[3-(Ethylamino)propyl]-5-hydroxy-1,3-diazinan-2-one
CID 18340109
N'-butyl-N,N-bis(2-hydroxyethyl)urea
CID 18371210

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide (CID 54416795) is N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide is C[N+]1(CCO)CCCCC1NC=O.
What is the InChIKey of N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide?
The InChIKey is XDFVSMTYVSCFEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O2/c1-11(6-7-12)5-3-2-4-9(11)10-8-13/h8-9,12H,2-7H2,1H3/p+1.
What are the key properties of N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide?
N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide has a molecular weight of 187.26 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-1-methylpiperidin-1-ium-2-yl]formamide is sourced from PubChem (CID 54416795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).