tert-butyl N-piperidin-4-ylcarbamate;formic acid

C11H22N2O4 — CID 22990009

IUPACtert-butyl N-piperidin-4-ylcarbamate;formic acid
SMILESCC(C)(C)OC(=O)NC1CCNCC1.O=CO
InChIInChI=1S/C10H20N2O2.CH2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;2-1-3/h8,11H,4-7H2,1-3H3,(H,12,13);1H,(H,2,3)
InChIKeyVCMFXPMRLKFGKA-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.96
Rot. Bonds1

About tert-butyl N-piperidin-4-ylcarbamate;formic acid

tert-butyl N-piperidin-4-ylcarbamate;formic acid (PubChem CID 22990009) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl N-piperidin-4-ylcarbamate;formic acid.

Molecular Properties

Compound Nametert-butyl N-piperidin-4-ylcarbamate;formic acid
PubChem CID22990009
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nametert-butyl N-piperidin-4-ylcarbamate;formic acid
SMILESCC(C)(C)OC(=O)NC1CCNCC1.O=CO
InChIInChI=1S/C10H20N2O2.CH2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;2-1-3/h8,11H,4-7H2,1-3H3,(H,12,13);1H,(H,2,3)
InChIKeyVCMFXPMRLKFGKA-UHFFFAOYSA-N
XLogP0.96
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-methylbutan-2-yl N-piperidin-4-ylcarbamate
CID 67158317
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;cyclopropanecarbaldehyde
CID 158414348
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CID 157216314
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
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tert-butyl N-piperidin-4-ylcarbamate;pyridin-2-amine
CID 174858928
tert-butyl N-(1,2,2,3,3-pentadeuteriopiperidin-4-yl)carbamate
CID 87125599
tert-butyl N-[4-(2,2-dimethylpropanoyl)cyclohexyl]carbamate
CID 59470733
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-piperidin-4-ylcarbamate;5,6,7,8-tetrahydroquinazoline-2-carbaldehyde
CID 87647790
tert-butyl N-[(3S)-azepan-3-yl]carbamate;oxalic acid
CID 154705936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-4-ylcarbamate;formic acid?
The IUPAC name of tert-butyl N-piperidin-4-ylcarbamate;formic acid (CID 22990009) is tert-butyl N-piperidin-4-ylcarbamate;formic acid.
What is the SMILES notation for tert-butyl N-piperidin-4-ylcarbamate;formic acid?
The canonical SMILES for tert-butyl N-piperidin-4-ylcarbamate;formic acid is CC(C)(C)OC(=O)NC1CCNCC1.O=CO.
What is the InChIKey of tert-butyl N-piperidin-4-ylcarbamate;formic acid?
The InChIKey is VCMFXPMRLKFGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.CH2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8;2-1-3/h8,11H,4-7H2,1-3H3,(H,12,13);1H,(H,2,3).
What are the key properties of tert-butyl N-piperidin-4-ylcarbamate;formic acid?
tert-butyl N-piperidin-4-ylcarbamate;formic acid has a molecular weight of 246.31 g/mol, XLogP of 0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-4-ylcarbamate;formic acid is sourced from PubChem (CID 22990009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).