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

C16H31N3O2 — CID 14209998

IUPAC2-[2-[[(4-hydroxycyclohexyl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CN(C)C1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-17-16(21)12-19-10-4-3-5-14(19)11-18(2)13-6-8-15(20)9-7-13/h13-15,20H,3-12H2,1-2H3,(H,17,21)
InChIKeyYBNRFYCHUWVABX-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.82
Rot. Bonds5

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 14209998) 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 CID14209998
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[2-[[(4-hydroxycyclohexyl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCCCC1CN(C)C1CCC(O)CC1
InChIInChI=1S/C16H31N3O2/c1-17-16(21)12-19-10-4-3-5-14(19)11-18(2)13-6-8-15(20)9-7-13/h13-15,20H,3-12H2,1-2H3,(H,17,21)
InChIKeyYBNRFYCHUWVABX-UHFFFAOYSA-N
XLogP0.82
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
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 14209998) 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)CN1CCCCC1CN(C)C1CCC(O)CC1.
What is the InChIKey of 2-[2-[[(4-hydroxycyclohexyl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide?
The InChIKey is YBNRFYCHUWVABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-17-16(21)12-19-10-4-3-5-14(19)11-18(2)13-6-8-15(20)9-7-13/h13-15,20H,3-12H2,1-2H3,(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 0.82, 5 rotatable bonds, 2 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 14209998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).