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

C13H26N2O3 — CID 112543097

IUPACmethyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCCCCN1CC(CCO)CC(NC(=O)OC)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-6-15-9-11(5-7-16)8-12(10-15)14-13(17)18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyUEYAJSSCUNPKTC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.22
Rot. Bonds6

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

methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate (PubChem CID 112543097) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
PubChem CID112543097
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
SMILESCCCCN1CC(CCO)CC(NC(=O)OC)C1
InChIInChI=1S/C13H26N2O3/c1-3-4-6-15-9-11(5-7-16)8-12(10-15)14-13(17)18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17)
InChIKeyUEYAJSSCUNPKTC-UHFFFAOYSA-N
XLogP1.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
2-[1-butyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]ethanol
CID 83992175
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
methyl N-[1-cyclobutyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543373

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate (CID 112543097) is methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate is CCCCN1CC(CCO)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate?
The InChIKey is UEYAJSSCUNPKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-4-6-15-9-11(5-7-16)8-12(10-15)14-13(17)18-2/h11-12,16H,3-10H2,1-2H3,(H,14,17).
What are the key properties of methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate?
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).