2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol

C18H36N2O — CID 62707955

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)16-5-6-18(21)17(11-16)13-20-9-7-15(8-10-20)12-19(3)4/h14-18,21H,5-13H2,1-4H3
InChIKeyJLGAKQMMJMNMCK-UHFFFAOYSA-N
MW296.50 g/mol
LogP2.69
Rot. Bonds5

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 62707955) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID62707955
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C18H36N2O/c1-14(2)16-5-6-18(21)17(11-16)13-20-9-7-15(8-10-20)12-19(3)4/h14-18,21H,5-13H2,1-4H3
InChIKeyJLGAKQMMJMNMCK-UHFFFAOYSA-N
XLogP2.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol (CID 62707955) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)C(CN2CCC(CN(C)C)CC2)C1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is JLGAKQMMJMNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)16-5-6-18(21)17(11-16)13-20-9-7-15(8-10-20)12-19(3)4/h14-18,21H,5-13H2,1-4H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 62707955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).