4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine

C20H39NO — CID 134556103

IUPAC4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine
SMILESCC(C)C1([C@@H](C)CC[C@@H](C)C2(C)CCNCC2)CCOCC1
InChIInChI=1S/C20H39NO/c1-16(2)20(10-14-22-15-11-20)18(4)7-6-17(3)19(5)8-12-21-13-9-19/h16-18,21H,6-15H2,1-5H3/t17-,18+/m1/s1
InChIKeyXAUOIMKAEWCEOF-MSOLQXFVSA-N
MW309.54 g/mol
LogP4.88
Rot. Bonds6

About 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine

4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine (PubChem CID 134556103) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine
PubChem CID134556103
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine
SMILESCC(C)C1([C@@H](C)CC[C@@H](C)C2(C)CCNCC2)CCOCC1
InChIInChI=1S/C20H39NO/c1-16(2)20(10-14-22-15-11-20)18(4)7-6-17(3)19(5)8-12-21-13-9-19/h16-18,21H,6-15H2,1-5H3/t17-,18+/m1/s1
InChIKeyXAUOIMKAEWCEOF-MSOLQXFVSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine?
The IUPAC name of 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine (CID 134556103) is 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine?
The canonical SMILES for 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine is CC(C)C1([C@@H](C)CC[C@@H](C)C2(C)CCNCC2)CCOCC1.
What is the InChIKey of 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine?
The InChIKey is XAUOIMKAEWCEOF-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H39NO/c1-16(2)20(10-14-22-15-11-20)18(4)7-6-17(3)19(5)8-12-21-13-9-19/h16-18,21H,6-15H2,1-5H3/t17-,18+/m1/s1.
What are the key properties of 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine?
4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine has a molecular weight of 309.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2R,5S)-5-(4-propan-2-yloxan-4-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 134556103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).