4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate

C32H54N4O6 — CID 159589918

About 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate

4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate (PubChem CID 159589918) has the molecular formula C32H54N4O6 and a molecular weight of 590.81 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

• Compound Name: 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate
• PubChem CID: 159589918
• Molecular Formula: C32H54N4O6
• Molecular Weight: 590.81 g/mol
• Exact Mass: 590.40
• IUPAC Name: 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate
• SMILES: NCC1CCN(CC2(O)CCOCC2)CC1.O=C(NCC1CCN(CC2(O)CCOCC2)CC1)OCc1ccccc1
• InChI: InChI=1S/C20H30N2O4.C12H24N2O2/c23-19(26-15-18-4-2-1-3-5-18)21-14-17-6-10-22(11-7-17)16-20(24)8-12-25-13-9-20;13-9-11-1-5-14(6-2-11)10-12(15)3-7-16-8-4-12/h1-5,17,24H,6-16H2,(H,21,23);11,15H,1-10,13H2
• InChIKey: MKCKYWJLBVKOSU-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 129.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.81
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate?

The IUPAC name of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate (CID 159589918) is 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate.

What is the SMILES notation for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate?

The canonical SMILES for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate is NCC1CCN(CC2(O)CCOCC2)CC1.O=C(NCC1CCN(CC2(O)CCOCC2)CC1)OCc1ccccc1.

What is the InChIKey of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate?

The InChIKey is MKCKYWJLBVKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4.C12H24N2O2/c23-19(26-15-18-4-2-1-3-5-18)21-14-17-6-10-22(11-7-17)16-20(24)8-12-25-13-9-20;13-9-11-1-5-14(6-2-11)10-12(15)3-7-16-8-4-12/h1-5,17,24H,6-16H2,(H,21,23);11,15H,1-10,13H2.

What are the key properties of 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate?

4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 590.81 g/mol, XLogP of 2.36, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(aminomethyl)piperidin-1-yl]methyl]oxan-4-ol;benzyl N-[[1-[(4-hydroxyoxan-4-yl)methyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 159589918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).