methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate

C13H26N2O3 — CID 83990952

IUPACmethyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CC(C(O)CC)CN(C(=O)OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-6-14-11-7-10(12(16)5-2)8-15(9-11)13(17)18-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyOXLJETYNVSBLRN-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.21
Rot. Bonds5

About methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate

methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate (PubChem CID 83990952) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
PubChem CID83990952
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
SMILESCCCNC1CC(C(O)CC)CN(C(=O)OC)C1
InChIInChI=1S/C13H26N2O3/c1-4-6-14-11-7-10(12(16)5-2)8-15(9-11)13(17)18-3/h10-12,14,16H,4-9H2,1-3H3
InChIKeyOXLJETYNVSBLRN-UHFFFAOYSA-N
XLogP1.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 112541586
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
methyl 3-(benzylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83993625
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
methyl N-[1-butyl-5-(1-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543103

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate (CID 83990952) is methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate is CCCNC1CC(C(O)CC)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate?
The InChIKey is OXLJETYNVSBLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-6-14-11-7-10(12(16)5-2)8-15(9-11)13(17)18-3/h10-12,14,16H,4-9H2,1-3H3.
What are the key properties of methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate?
methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83990952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).