1-(2,2-diethoxyethyl)-4-propylpiperidine

C14H29NO2 — CID 63617165

IUPAC1-(2,2-diethoxyethyl)-4-propylpiperidine
SMILESCCCC1CCN(CC(OCC)OCC)CC1
InChIInChI=1S/C14H29NO2/c1-4-7-13-8-10-15(11-9-13)12-14(16-5-2)17-6-3/h13-14H,4-12H2,1-3H3
InChIKeyCXHQOJHJPFMPLZ-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.90
Rot. Bonds8

About 1-(2,2-diethoxyethyl)-4-propylpiperidine

1-(2,2-diethoxyethyl)-4-propylpiperidine (PubChem CID 63617165) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-4-propylpiperidine.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-4-propylpiperidine
PubChem CID63617165
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(2,2-diethoxyethyl)-4-propylpiperidine
SMILESCCCC1CCN(CC(OCC)OCC)CC1
InChIInChI=1S/C14H29NO2/c1-4-7-13-8-10-15(11-9-13)12-14(16-5-2)17-6-3/h13-14H,4-12H2,1-3H3
InChIKeyCXHQOJHJPFMPLZ-UHFFFAOYSA-N
XLogP2.90
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
CID 55249753
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
1-cyclopentyl-2-(4-propylpiperidin-1-yl)ethanol
CID 104752787
4-[2-(3-bromo-2-methylphenoxy)ethyl]-1-(2,2-diethoxyethyl)piperidine
CID 170312931
3,3-dimethyl-1-(4-propylpiperidin-1-yl)butan-2-ol
CID 62205780
1-(2,2-diethoxyethyl)-3-ethylpiperidin-4-amine
CID 81460280
1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
CID 55248399
1,1,1-trifluoro-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 63902467
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
1-(methoxymethyl)-4-propylpiperidine
CID 18738071

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-4-propylpiperidine?
The IUPAC name of 1-(2,2-diethoxyethyl)-4-propylpiperidine (CID 63617165) is 1-(2,2-diethoxyethyl)-4-propylpiperidine.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-4-propylpiperidine?
The canonical SMILES for 1-(2,2-diethoxyethyl)-4-propylpiperidine is CCCC1CCN(CC(OCC)OCC)CC1.
What is the InChIKey of 1-(2,2-diethoxyethyl)-4-propylpiperidine?
The InChIKey is CXHQOJHJPFMPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-13-8-10-15(11-9-13)12-14(16-5-2)17-6-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(2,2-diethoxyethyl)-4-propylpiperidine?
1-(2,2-diethoxyethyl)-4-propylpiperidine has a molecular weight of 243.39 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-4-propylpiperidine is sourced from PubChem (CID 63617165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).