(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol

C18H36N2O2 — CID 95626149

IUPAC(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol
SMILESCCOC[C@@H](O)CN(C)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C18H36N2O2/c1-4-22-14-18(21)13-19(3)16-9-11-20(12-10-16)17-7-5-15(2)6-8-17/h15-18,21H,4-14H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyNFUQYYDSSUAFEW-VJFUWPCTSA-N
MW312.50 g/mol
LogP2.36
Rot. Bonds7

About (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol

(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol (PubChem CID 95626149) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol
PubChem CID95626149
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol
SMILESCCOC[C@@H](O)CN(C)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C18H36N2O2/c1-4-22-14-18(21)13-19(3)16-9-11-20(12-10-16)17-7-5-15(2)6-8-17/h15-18,21H,4-14H2,1-3H3/t15?,17?,18-/m0/s1
InChIKeyNFUQYYDSSUAFEW-VJFUWPCTSA-N
XLogP2.36
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol?
The IUPAC name of (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol (CID 95626149) is (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol is CCOC[C@@H](O)CN(C)C1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol?
The InChIKey is NFUQYYDSSUAFEW-VJFUWPCTSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-4-22-14-18(21)13-19(3)16-9-11-20(12-10-16)17-7-5-15(2)6-8-17/h15-18,21H,4-14H2,1-3H3/t15?,17?,18-/m0/s1.
What are the key properties of (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol?
(2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol has a molecular weight of 312.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethoxy-3-[methyl-[1-(4-methylcyclohexyl)piperidin-4-yl]amino]propan-2-ol is sourced from PubChem (CID 95626149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).