tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate

C18H32N2O3 — CID 112544633

IUPACtert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CC(O)C2CC2)CN(C2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)19-14-8-12(9-16(21)13-4-5-13)10-20(11-14)15-6-7-15/h12-16,21H,4-11H2,1-3H3,(H,19,22)
InChIKeyFWVUHMUNBKKWCD-UHFFFAOYSA-N
MW324.46 g/mol
LogP2.53
Rot. Bonds5

About tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate

tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate (PubChem CID 112544633) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
PubChem CID112544633
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CC(O)C2CC2)CN(C2CC2)C1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)19-14-8-12(9-16(21)13-4-5-13)10-20(11-14)15-6-7-15/h12-16,21H,4-11H2,1-3H3,(H,19,22)
InChIKeyFWVUHMUNBKKWCD-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
tert-butyl N-(1-cyclopentyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112544603
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[1-(oxan-4-yl)azetidin-3-yl]carbamate
CID 147187788
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate (CID 112544633) is tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CC(CC(O)C2CC2)CN(C2CC2)C1.
What is the InChIKey of tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate?
The InChIKey is FWVUHMUNBKKWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)19-14-8-12(9-16(21)13-4-5-13)10-20(11-14)15-6-7-15/h12-16,21H,4-11H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate?
tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate has a molecular weight of 324.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).