2-(1-methylpiperidin-4-yl)ethylphosphonous acid

C8H18NO2P — CID 143159252

IUPAC2-(1-methylpiperidin-4-yl)ethylphosphonous acid
SMILESCN1CCC(CCP(O)O)CC1
InChIInChI=1S/C8H18NO2P/c1-9-5-2-8(3-6-9)4-7-12(10)11/h8,10-11H,2-7H2,1H3
InChIKeyJJUDZABZXHVVCA-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.01
Rot. Bonds3

About 2-(1-methylpiperidin-4-yl)ethylphosphonous acid

2-(1-methylpiperidin-4-yl)ethylphosphonous acid (PubChem CID 143159252) has the molecular formula C8H18NO2P and a molecular weight of 191.21 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)ethylphosphonous acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)ethylphosphonous acid
PubChem CID143159252
Molecular FormulaC8H18NO2P
Molecular Weight191.21 g/mol
Exact Mass191.11
IUPAC Name2-(1-methylpiperidin-4-yl)ethylphosphonous acid
SMILESCN1CCC(CCP(O)O)CC1
InChIInChI=1S/C8H18NO2P/c1-9-5-2-8(3-6-9)4-7-12(10)11/h8,10-11H,2-7H2,1H3
InChIKeyJJUDZABZXHVVCA-UHFFFAOYSA-N
XLogP1.01
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 62657369
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
4-(3-iodopropyl)-1-methylpiperidine
CID 18723182
2-(1-methylpiperidin-4-yl)ethyl carbamate
CID 141210995
2-[2-(1-methylpiperidin-4-yl)ethyl]guanidine
CID 90084967
N-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]azetidin-3-amine
CID 138646011
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
4-(3-chloropropyl)-1-methylpiperidine;hydrochloride
CID 154791310
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-one
CID 114515872

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)ethylphosphonous acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)ethylphosphonous acid (CID 143159252) is 2-(1-methylpiperidin-4-yl)ethylphosphonous acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)ethylphosphonous acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)ethylphosphonous acid is CN1CCC(CCP(O)O)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)ethylphosphonous acid?
The InChIKey is JJUDZABZXHVVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2P/c1-9-5-2-8(3-6-9)4-7-12(10)11/h8,10-11H,2-7H2,1H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)ethylphosphonous acid?
2-(1-methylpiperidin-4-yl)ethylphosphonous acid has a molecular weight of 191.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)ethylphosphonous acid is sourced from PubChem (CID 143159252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).