methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate

C15H30N2O3 — CID 112543067

IUPACmethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
SMILESCCCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1
InChIInChI=1S/C15H30N2O3/c1-5-6-17-9-12(8-14(18)11(2)3)7-13(10-17)16-15(19)20-4/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyCNVLWQAXCBYMJN-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.85
Rot. Bonds6

About methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate

methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate (PubChem CID 112543067) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
PubChem CID112543067
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
SMILESCCCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1
InChIInChI=1S/C15H30N2O3/c1-5-6-17-9-12(8-14(18)11(2)3)7-13(10-17)16-15(19)20-4/h11-14,18H,5-10H2,1-4H3,(H,16,19)
InChIKeyCNVLWQAXCBYMJN-UHFFFAOYSA-N
XLogP1.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-ethyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543038
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propan-2-ylpiperidin-3-yl]carbamate
CID 112543133
methyl N-[1-acetyl-5-(2-hydroxy-3-methylbutyl)piperidin-3-yl]carbamate
CID 112543205
1-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83991508
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
1-[1-(2-aminoethyl)-5-(ethylamino)piperidin-3-yl]-3-methylbutan-2-ol
CID 83990765

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate (CID 112543067) is methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate is CCCN1CC(CC(O)C(C)C)CC(NC(=O)OC)C1.
What is the InChIKey of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate?
The InChIKey is CNVLWQAXCBYMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-5-6-17-9-12(8-14(18)11(2)3)7-13(10-17)16-15(19)20-4/h11-14,18H,5-10H2,1-4H3,(H,16,19).
What are the key properties of methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate?
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).