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

C14H28N2O3 — CID 112543103

IUPACmethyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCCCN1CC(NC(=O)OC)CC(C(O)CC)C1
InChIInChI=1S/C14H28N2O3/c1-4-6-7-16-9-11(13(17)5-2)8-12(10-16)15-14(18)19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyCZLAAWPBNSRXFT-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.60
Rot. Bonds6

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

methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate (PubChem CID 112543103) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
PubChem CID112543103
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
SMILESCCCCN1CC(NC(=O)OC)CC(C(O)CC)C1
InChIInChI=1S/C14H28N2O3/c1-4-6-7-16-9-11(13(17)5-2)8-12(10-16)15-14(18)19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18)
InChIKeyCZLAAWPBNSRXFT-UHFFFAOYSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(cyanomethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543535
tert-butyl N-[1-(2-aminoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544878
N-[5-(1-hydroxypropyl)-1-propylpiperidin-3-yl]-2-methylpropanamide
CID 112542596
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
tert-butyl N-[1-(2-amino-2-oxoethyl)-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544837
1-[5-(benzylamino)-1-butylpiperidin-3-yl]propan-1-ol
CID 112541373
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
methyl N-[5-(2-hydroxy-3-methylbutyl)-1-propylpiperidin-3-yl]carbamate
CID 112543067
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate (CID 112543103) is methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate is CCCCN1CC(NC(=O)OC)CC(C(O)CC)C1.
What is the InChIKey of methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate?
The InChIKey is CZLAAWPBNSRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-6-7-16-9-11(13(17)5-2)8-12(10-16)15-14(18)19-3/h11-13,17H,4-10H2,1-3H3,(H,15,18).
What are the key properties of methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate?
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.60, 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-(1-hydroxypropyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112543103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).