tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride

C12H25ClN2O3 — CID 163332476

IUPACtert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(CO)CCNCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-11(2,3)17-10(16)14-8-12(9-15)4-6-13-7-5-12;/h13,15H,4-9H2,1-3H3,(H,14,16);1H
InChIKeyVMACSOWSANBGDT-UHFFFAOYSA-N
MW280.80 g/mol
LogP1.29
Rot. Bonds3

About tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride

tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride (PubChem CID 163332476) has the molecular formula C12H25ClN2O3 and a molecular weight of 280.80 g/mol. Its IUPAC name is tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
PubChem CID163332476
Molecular FormulaC12H25ClN2O3
Molecular Weight280.80 g/mol
Exact Mass280.16
IUPAC Nametert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(CO)CCNCC1.Cl
InChIInChI=1S/C12H24N2O3.ClH/c1-11(2,3)17-10(16)14-8-12(9-15)4-6-13-7-5-12;/h13,15H,4-9H2,1-3H3,(H,14,16);1H
InChIKeyVMACSOWSANBGDT-UHFFFAOYSA-N
XLogP1.29
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
CID 121207999
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]ethyl]carbamate
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tert-butyl N-[3-[[1-(hydroxymethyl)cyclopentyl]methylamino]propyl]carbamate
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tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[(3-fluoroazetidin-3-yl)methyl]carbamate;hydrochloride
CID 118998436
methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
CID 161037215
tert-butyl N-[(4-pyridin-2-ylpiperidin-4-yl)methyl]carbamate;hydrochloride
CID 154702927
tert-butyl N-[[3-(hydroxymethyl)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]methyl]carbamate
CID 167716486

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride (CID 163332476) is tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCC1(CO)CCNCC1.Cl.
What is the InChIKey of tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride?
The InChIKey is VMACSOWSANBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3.ClH/c1-11(2,3)17-10(16)14-8-12(9-15)4-6-13-7-5-12;/h13,15H,4-9H2,1-3H3,(H,14,16);1H.
What are the key properties of tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride?
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 1.29, 3 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-4-yl]methyl]carbamate;hydrochloride is sourced from PubChem (CID 163332476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).