4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine

C15H28N2O — CID 130199783

IUPAC4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine
SMILESCC(C)C1=CCN(C[C@H](C)N2CCOCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)15-4-6-16(7-5-15)12-14(3)17-8-10-18-11-9-17/h4,13-14H,5-12H2,1-3H3/t14-/m0/s1
InChIKeyLKPZSKJYAKDDIQ-AWEZNQCLSA-N
MW252.40 g/mol
LogP2.00
Rot. Bonds4

About 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine

4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine (PubChem CID 130199783) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine
PubChem CID130199783
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine
SMILESCC(C)C1=CCN(C[C@H](C)N2CCOCC2)CC1
InChIInChI=1S/C15H28N2O/c1-13(2)15-4-6-16(7-5-15)12-14(3)17-8-10-18-11-9-17/h4,13-14H,5-12H2,1-3H3/t14-/m0/s1
InChIKeyLKPZSKJYAKDDIQ-AWEZNQCLSA-N
XLogP2.00
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.00
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 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine?
The IUPAC name of 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine (CID 130199783) is 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine?
The canonical SMILES for 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine is CC(C)C1=CCN(C[C@H](C)N2CCOCC2)CC1.
What is the InChIKey of 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine?
The InChIKey is LKPZSKJYAKDDIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2)15-4-6-16(7-5-15)12-14(3)17-8-10-18-11-9-17/h4,13-14H,5-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine?
4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine has a molecular weight of 252.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)propan-2-yl]morpholine is sourced from PubChem (CID 130199783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).