(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine

C20H39N3O — CID 124624964

IUPAC(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
SMILESCC(C)C1CCC(N2CCN(CCN3CCO[C@@H](C)C3)CC2)CC1
InChIInChI=1S/C20H39N3O/c1-17(2)19-4-6-20(7-5-19)23-12-10-21(11-13-23)8-9-22-14-15-24-18(3)16-22/h17-20H,4-16H2,1-3H3/t18-,19?,20?/m0/s1
InChIKeyUMELZGGETZQURT-HDYDNRTBSA-N
MW337.55 g/mol
LogP2.54
Rot. Bonds5

About (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine

(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine (PubChem CID 124624964) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
PubChem CID124624964
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine
SMILESCC(C)C1CCC(N2CCN(CCN3CCO[C@@H](C)C3)CC2)CC1
InChIInChI=1S/C20H39N3O/c1-17(2)19-4-6-20(7-5-19)23-12-10-21(11-13-23)8-9-22-14-15-24-18(3)16-22/h17-20H,4-16H2,1-3H3/t18-,19?,20?/m0/s1
InChIKeyUMELZGGETZQURT-HDYDNRTBSA-N
XLogP2.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine (CID 124624964) is (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine is CC(C)C1CCC(N2CCN(CCN3CCO[C@@H](C)C3)CC2)CC1.
What is the InChIKey of (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine?
The InChIKey is UMELZGGETZQURT-HDYDNRTBSA-N. The full InChI is InChI=1S/C20H39N3O/c1-17(2)19-4-6-20(7-5-19)23-12-10-21(11-13-23)8-9-22-14-15-24-18(3)16-22/h17-20H,4-16H2,1-3H3/t18-,19?,20?/m0/s1.
What are the key properties of (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine?
(2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine has a molecular weight of 337.55 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[2-[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 124624964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).