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

C16H31N3O2 — CID 19845967

IUPAC2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-17-16(21)12-19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h13-15,18,20H,2-12H2,1H3,(H,17,21)
InChIKeySOPWNIZDXSLPQR-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.73
Rot. Bonds6

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

2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide (PubChem CID 19845967) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide
PubChem CID19845967
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CNCC1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-17-16(21)12-19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h13-15,18,20H,2-12H2,1H3,(H,17,21)
InChIKeySOPWNIZDXSLPQR-UHFFFAOYSA-N
XLogP0.73
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.73
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]-N-methylacetamide?
The IUPAC name of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide (CID 19845967) is 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCCCC1CNCC1CCC(O)CC1.
What is the InChIKey of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is SOPWNIZDXSLPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-17-16(21)12-19-9-3-2-4-14(19)11-18-10-13-5-7-15(20)8-6-13/h13-15,18,20H,2-12H2,1H3,(H,17,21).
What are the key properties of 2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
2-[2-[[(4-hydroxycyclohexyl)methylamino]methyl]piperidin-1-yl]-N-methylacetamide has a molecular weight of 297.44 g/mol, XLogP of 0.73, 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]-N-methylacetamide is sourced from PubChem (CID 19845967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).