1-benzyl-4,4-diethoxypiperidine

C16H25NO2 — CID 3925935

IUPAC1-benzyl-4,4-diethoxypiperidine
SMILESCCOC1(OCC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-12-17(13-11-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyBIWIVGCTGYSXRF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.05
Rot. Bonds6

About 1-benzyl-4,4-diethoxypiperidine

1-benzyl-4,4-diethoxypiperidine (PubChem CID 3925935) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-benzyl-4,4-diethoxypiperidine.

Molecular Properties

Compound Name1-benzyl-4,4-diethoxypiperidine
PubChem CID3925935
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-benzyl-4,4-diethoxypiperidine
SMILESCCOC1(OCC)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-12-17(13-11-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKeyBIWIVGCTGYSXRF-UHFFFAOYSA-N
XLogP3.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.05
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

1-Benzylpiperidin-4-ol
CID 78461
6-Benzyl-1-oxa-6-azaspiro(2,5)octane
CID 89238
4-Benzylmorpholine
CID 249546
AJ-190/13485012
CID 899309
4-Benzylmorpholine hydrochloride
CID 2849468
4-(3-Aminopropoxy)-1-benzylpiperidine
CID 18425738
1-Phenethyl-4-propionyloxypiperidine
CID 91725431
3-[Benzyl-(2-ethoxycarbonyl-ethyl)-amino]-propionic acid ethyl ester
CID 81354
3-[(1-Benzylpiperidin-4-yl)oxy]propanenitrile
CID 2794599
3-[(4-Tert-butylphenyl)methyl]-7,12-dioxa-3-azaspiro[5.6]dodecane
CID 145980457
3-[(4-Tert-butylphenyl)methyl]-7,11-dioxa-3-azaspiro[5.5]undecane
CID 145980864
4-Benzyl-2,2,6,6-tetramethylmorpholine
CID 12282999

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,4-diethoxypiperidine?
The IUPAC name of 1-benzyl-4,4-diethoxypiperidine (CID 3925935) is 1-benzyl-4,4-diethoxypiperidine.
What is the SMILES notation for 1-benzyl-4,4-diethoxypiperidine?
The canonical SMILES for 1-benzyl-4,4-diethoxypiperidine is CCOC1(OCC)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4,4-diethoxypiperidine?
The InChIKey is BIWIVGCTGYSXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-12-17(13-11-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3.
What are the key properties of 1-benzyl-4,4-diethoxypiperidine?
1-benzyl-4,4-diethoxypiperidine has a molecular weight of 263.38 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,4-diethoxypiperidine is sourced from PubChem (CID 3925935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).