2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide

C15H29N3O2 — CID 19845997

IUPAC2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C15H29N3O2/c16-15(20)11-18-8-2-1-3-13(18)10-17-9-12-4-6-14(19)7-5-12/h12-14,17,19H,1-11H2,(H2,16,20)
InChIKeyXYDQITXEVSKZGV-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.47
Rot. Bonds6

About 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide

2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide (PubChem CID 19845997) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide
PubChem CID19845997
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C15H29N3O2/c16-15(20)11-18-8-2-1-3-13(18)10-17-9-12-4-6-14(19)7-5-12/h12-14,17,19H,1-11H2,(H2,16,20)
InChIKeyXYDQITXEVSKZGV-UHFFFAOYSA-N
XLogP0.47
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide (CID 19845997) is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide?
The InChIKey is XYDQITXEVSKZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c16-15(20)11-18-8-2-1-3-13(18)10-17-9-12-4-6-14(19)7-5-12/h12-14,17,19H,1-11H2,(H2,16,20).
What are the key properties of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide?
2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide has a molecular weight of 283.42 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 19845997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).