[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol

C19H36N2O5 — CID 161208476

IUPAC[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol
SMILESO=C(OCN1CCC(CO)CC1)C1CCOCC1.OCC1CCNCC1
InChIInChI=1S/C13H23NO4.C6H13NO/c15-9-11-1-5-14(6-2-11)10-18-13(16)12-3-7-17-8-4-12;8-5-6-1-3-7-4-2-6/h11-12,15H,1-10H2;6-8H,1-5H2
InChIKeyUVXOGGGQPPCSBJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP0.60
Rot. Bonds5

About [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol

[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol (PubChem CID 161208476) has the molecular formula C19H36N2O5 and a molecular weight of 372.51 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol
PubChem CID161208476
Molecular FormulaC19H36N2O5
Molecular Weight372.51 g/mol
Exact Mass372.26
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol
SMILESO=C(OCN1CCC(CO)CC1)C1CCOCC1.OCC1CCNCC1
InChIInChI=1S/C13H23NO4.C6H13NO/c15-9-11-1-5-14(6-2-11)10-18-13(16)12-3-7-17-8-4-12;8-5-6-1-3-7-4-2-6/h11-12,15H,1-10H2;6-8H,1-5H2
InChIKeyUVXOGGGQPPCSBJ-UHFFFAOYSA-N
XLogP0.60
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-morpholin-4-ylethyl piperidine-4-carboxylate;hydrochloride
CID 118522364
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
oxan-4-ylmethyl oxane-4-carboxylate
CID 67654592
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
[4-(aminomethyl)piperidin-1-yl]methyl 2-tert-butyloxane-4-carboxylate
CID 90962658
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63099068
oxan-4-ylmethanol
CID 2773573
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
[1-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 112629419
1-[4-(oxan-4-yl)piperazin-1-yl]-2-piperidin-4-ylethanone
CID 131933898
[(3S)-pyrrolidin-3-yl] oxane-4-carboxylate
CID 86319568

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol (CID 161208476) is [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol is O=C(OCN1CCC(CO)CC1)C1CCOCC1.OCC1CCNCC1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol?
The InChIKey is UVXOGGGQPPCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4.C6H13NO/c15-9-11-1-5-14(6-2-11)10-18-13(16)12-3-7-17-8-4-12;8-5-6-1-3-7-4-2-6/h11-12,15H,1-10H2;6-8H,1-5H2.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol?
[4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol has a molecular weight of 372.51 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]methyl oxane-4-carboxylate;piperidin-4-ylmethanol is sourced from PubChem (CID 161208476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).