[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

C19H32N2O2 — CID 99857996

IUPAC[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H32N2O2/c1-15-4-3-5-16(2)18(15)14-20-8-6-17(7-9-20)19(22)21-10-12-23-13-11-21/h4,16-18H,3,5-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyCYWPNVHLTHTULL-FUHWJXTLSA-N
MW320.48 g/mol
LogP2.55
Rot. Bonds3

About [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 99857996) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID99857996
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C19H32N2O2/c1-15-4-3-5-16(2)18(15)14-20-8-6-17(7-9-20)19(22)21-10-12-23-13-11-21/h4,16-18H,3,5-14H2,1-2H3/t16-,18+/m0/s1
InChIKeyCYWPNVHLTHTULL-FUHWJXTLSA-N
XLogP2.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 99857996) is [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is CC1=CCC[C@H](C)[C@@H]1CN1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CYWPNVHLTHTULL-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15-4-3-5-16(2)18(15)14-20-8-6-17(7-9-20)19(22)21-10-12-23-13-11-21/h4,16-18H,3,5-14H2,1-2H3/t16-,18+/m0/s1.
What are the key properties of [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 320.48 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 99857996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).