acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate

C13H26N2O5 — CID 86811683

IUPACacetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate
SMILESCC(=O)O.CC(C)(C)OC(=O)NC1(CO)CCNCC1
InChIInChI=1S/C11H22N2O3.C2H4O2/c1-10(2,3)16-9(15)13-11(8-14)4-6-12-7-5-11;1-2(3)4/h12,14H,4-8H2,1-3H3,(H,13,15);1H3,(H,3,4)
InChIKeyRGZPBIZZPMEDOP-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.72
Rot. Bonds2

About acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate

acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate (PubChem CID 86811683) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameacetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate
PubChem CID86811683
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Nameacetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate
SMILESCC(=O)O.CC(C)(C)OC(=O)NC1(CO)CCNCC1
InChIInChI=1S/C11H22N2O3.C2H4O2/c1-10(2,3)16-9(15)13-11(8-14)4-6-12-7-5-11;1-2(3)4/h12,14H,4-8H2,1-3H3,(H,13,15);1H3,(H,3,4)
InChIKeyRGZPBIZZPMEDOP-UHFFFAOYSA-N
XLogP0.72
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(tert-Butoxycarbonyl)amino]piperidine-4-carboxylic acid
CID 1268236
t-Butyl N-[(3S,4R)-rel-3-hydroxypiperidin-4-yl]carbamate
CID 10703946
tert-Butyl 4-amino-4-(hydroxymethyl)piperidine-1-carboxylate
CID 22975819
rac-tert-butyl N-((3R,4R)-3-hydroxypiperidin-4-yl)carbamate
CID 58745574
(4-Methoxymethylpiperidin-4-yl)carbamic acid tert-butyl ester
CID 67957499
Tert-butyl 4-[(cyclopropylmethyl)amino]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 121552332
Tert-butyl 4-(hydroxymethyl)-4-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 126827440
tert-Butyl (4-(hydroxymethyl)piperidin-4-yl)carbamate
CID 86277082
Tert-butyl 4-(hydroxymethyl)-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxylate
CID 122154617
tert-butyl 4-(hydroxymethyl)-4-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]piperidine-1-carboxylate
CID 125536585
tert-butyl 4-(hydroxymethyl)-4-[[(2R)-3,3,3-trifluoro-2-hydroxypropyl]amino]piperidine-1-carboxylate
CID 125536586
ethyl (3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 11055334

Frequently Asked Questions

What is the IUPAC name of acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate?
The IUPAC name of acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate (CID 86811683) is acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate?
The canonical SMILES for acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate is CC(=O)O.CC(C)(C)OC(=O)NC1(CO)CCNCC1.
What is the InChIKey of acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate?
The InChIKey is RGZPBIZZPMEDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3.C2H4O2/c1-10(2,3)16-9(15)13-11(8-14)4-6-12-7-5-11;1-2(3)4/h12,14H,4-8H2,1-3H3,(H,13,15);1H3,(H,3,4).
What are the key properties of acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate?
acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 0.72, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;tert-butyl N-[4-(hydroxymethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 86811683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).