4-benzyl-1-tert-butyl-4-ethoxypiperidine

C18H29NO — CID 174056579

IUPAC4-benzyl-1-tert-butyl-4-ethoxypiperidine
SMILESCCOC1(Cc2ccccc2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-5-20-18(15-16-9-7-6-8-10-16)11-13-19(14-12-18)17(2,3)4/h6-10H,5,11-15H2,1-4H3
InChIKeyBHORCNKBXHQJMW-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.90
Rot. Bonds4

About 4-benzyl-1-tert-butyl-4-ethoxypiperidine

4-benzyl-1-tert-butyl-4-ethoxypiperidine (PubChem CID 174056579) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-benzyl-1-tert-butyl-4-ethoxypiperidine.

Molecular Properties

Compound Name4-benzyl-1-tert-butyl-4-ethoxypiperidine
PubChem CID174056579
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-benzyl-1-tert-butyl-4-ethoxypiperidine
SMILESCCOC1(Cc2ccccc2)CCN(C(C)(C)C)CC1
InChIInChI=1S/C18H29NO/c1-5-20-18(15-16-9-7-6-8-10-16)11-13-19(14-12-18)17(2,3)4/h6-10H,5,11-15H2,1-4H3
InChIKeyBHORCNKBXHQJMW-UHFFFAOYSA-N
XLogP3.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20536567
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N-benzyl-N-[(1-tert-butyl-4-fluoropiperidin-4-yl)methyl]-1-phenylmethanamine
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tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
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1-benzyl-4-tert-butylpiperazine
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1-tert-butyl-4-(2-phenylethyl)piperazine
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benzyl 2-(1-tert-butyl-4-cyanopiperidin-4-yl)-2-methylpropanoate
CID 146657020
N-[(1-benzylcyclobutyl)methyl]-2-methylpropan-2-amine
CID 65194402
ethyl (2S)-2-[7-tert-butyl-4,10-bis[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]-4-phenylbutanoate
CID 155007175
1-benzyl-N-tert-butylcyclopropan-1-amine
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1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
1-tert-butyl-4-ethyl-4-[(1-tritylimidazol-4-yl)methyl]piperidine
CID 150366898

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-tert-butyl-4-ethoxypiperidine?
The IUPAC name of 4-benzyl-1-tert-butyl-4-ethoxypiperidine (CID 174056579) is 4-benzyl-1-tert-butyl-4-ethoxypiperidine.
What is the SMILES notation for 4-benzyl-1-tert-butyl-4-ethoxypiperidine?
The canonical SMILES for 4-benzyl-1-tert-butyl-4-ethoxypiperidine is CCOC1(Cc2ccccc2)CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-benzyl-1-tert-butyl-4-ethoxypiperidine?
The InChIKey is BHORCNKBXHQJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-20-18(15-16-9-7-6-8-10-16)11-13-19(14-12-18)17(2,3)4/h6-10H,5,11-15H2,1-4H3.
What are the key properties of 4-benzyl-1-tert-butyl-4-ethoxypiperidine?
4-benzyl-1-tert-butyl-4-ethoxypiperidine has a molecular weight of 275.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-tert-butyl-4-ethoxypiperidine is sourced from PubChem (CID 174056579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).