benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate

C17H25NO3 — CID 134164536

IUPACbenzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1(O)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-14(2)12-17(20)8-10-18(11-9-17)16(19)21-13-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3
InChIKeyRMCANJFOIZCEPL-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.20
Rot. Bonds4

About benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate

benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate (PubChem CID 134164536) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
PubChem CID134164536
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namebenzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
SMILESCC(C)CC1(O)CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-14(2)12-17(20)8-10-18(11-9-17)16(19)21-13-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3
InChIKeyRMCANJFOIZCEPL-UHFFFAOYSA-N
XLogP3.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4-(2,2-dimethoxyethoxymethyl)-4-hydroxypiperidine-1-carboxylate
CID 172576280
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-hydroxy-4-(2-methylsulfanylphenyl)piperidine-1-carboxylate
CID 18786306
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 3-hydroxy-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171952514
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl (3R,4R)-3-fluoro-4-hydroxy-4-methylpiperidine-1-carboxylate
CID 90183749
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate (CID 134164536) is benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate is CC(C)CC1(O)CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate?
The InChIKey is RMCANJFOIZCEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-14(2)12-17(20)8-10-18(11-9-17)16(19)21-13-15-6-4-3-5-7-15/h3-7,14,20H,8-13H2,1-2H3.
What are the key properties of benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate?
benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 134164536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).