tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate

C11H22N2O3 — CID 174527062

IUPACtert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CO)CCN1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyBEYSHUWGJHWTMK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds2

About tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate

tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate (PubChem CID 174527062) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
PubChem CID174527062
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CO)CCN1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h8-9,12,14H,4-7H2,1-3H3,(H,13,15)
InChIKeyBEYSHUWGJHWTMK-UHFFFAOYSA-N
XLogP0.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-(4-hydroxypyrrolidin-2-yl)carbamate
CID 70204935
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-piperidin-4-ylcarbamate;formic acid
CID 22990009
tert-butyl N-[2-[[3-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]carbamate
CID 140814395
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate
CID 88519589
tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 176897655
tert-butyl N-[(1S,2S,5S)-2-(hydroxymethyl)-5-methoxycyclohexyl]carbamate
CID 169190605
tert-butyl N-[(1R,5S,6R,7R)-7-(hydroxymethyl)-6-bicyclo[3.2.0]heptanyl]carbamate
CID 178194186
tert-butyl N-[(1R,6S)-7-bicyclo[4.1.0]heptanyl]carbamate
CID 42604411
tert-butyl N-[[(2R,4R)-4-methoxypiperidin-2-yl]methyl]carbamate
CID 97184307

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate (CID 174527062) is tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate is CC(C)(C)OC(=O)NC1CC(CO)CCN1.
What is the InChIKey of tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate?
The InChIKey is BEYSHUWGJHWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-9-6-8(7-14)4-5-12-9/h8-9,12,14H,4-7H2,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate?
tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate is sourced from PubChem (CID 174527062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).