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

C18H34N2O3 — CID 112544349

IUPACtert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
SMILESCCCN1CC(CC(O)C2CC2)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-5-8-20-11-13(10-16(21)14-6-7-14)9-15(12-20)19-17(22)23-18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22)
InChIKeySCCHABUKTHSLFQ-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.77
Rot. Bonds6

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

tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate (PubChem CID 112544349) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
PubChem CID112544349
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
SMILESCCCN1CC(CC(O)C2CC2)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-5-8-20-11-13(10-16(21)14-6-7-14)9-15(12-20)19-17(22)23-18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22)
InChIKeySCCHABUKTHSLFQ-UHFFFAOYSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-cyclopropyl-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112544633
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(2-hydroxybutyl)piperidin-3-yl]carbamate
CID 112544838
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112544734
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
N-[1-(cyanomethyl)-5-(2-cyclopropyl-2-hydroxyethyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542487
1-cyclopropyl-2-[5-(ethylamino)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 83990741

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate (CID 112544349) is tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate is CCCN1CC(CC(O)C2CC2)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate?
The InChIKey is SCCHABUKTHSLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-5-8-20-11-13(10-16(21)14-6-7-14)9-15(12-20)19-17(22)23-18(2,3)4/h13-16,21H,5-12H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate?
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).