benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane

C16H25NO4 — CID 143991995

IUPACbenzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(O)(CO)CC1
InChIInChI=1S/C14H19NO4.C2H6/c16-11-14(18)6-8-15(9-7-14)13(17)19-10-12-4-2-1-3-5-12;1-2/h1-5,16,18H,6-11H2;1-2H3
InChIKeyJJIYRYPOHUFRAC-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.17
Rot. Bonds3

About benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane

benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane (PubChem CID 143991995) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Namebenzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
PubChem CID143991995
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Namebenzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
SMILESCC.O=C(OCc1ccccc1)N1CCC(O)(CO)CC1
InChIInChI=1S/C14H19NO4.C2H6/c16-11-14(18)6-8-15(9-7-14)13(17)19-10-12-4-2-1-3-5-12;1-2/h1-5,16,18H,6-11H2;1-2H3
InChIKeyJJIYRYPOHUFRAC-UHFFFAOYSA-N
XLogP2.17
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-hydroxy-4-(2-methylpropyl)piperidine-1-carboxylate
CID 134164536
benzyl 3-ethyl-3-hydroxypyrrolidine-1-carboxylate
CID 134177582
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-(2,2-dimethoxyethoxymethyl)-4-hydroxypiperidine-1-carboxylate
CID 172576280
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
benzyl (3R)-3-fluoro-3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 121242240
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 70380008
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-hydroxy-4-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 59305246

Frequently Asked Questions

What is the IUPAC name of benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane?
The IUPAC name of benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane (CID 143991995) is benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane is CC.O=C(OCc1ccccc1)N1CCC(O)(CO)CC1.
What is the InChIKey of benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane?
The InChIKey is JJIYRYPOHUFRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4.C2H6/c16-11-14(18)6-8-15(9-7-14)13(17)19-10-12-4-2-1-3-5-12;1-2/h1-5,16,18H,6-11H2;1-2H3.
What are the key properties of benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane?
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane has a molecular weight of 295.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143991995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).