2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine

C16H32N2O — CID 114593846

IUPAC2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine
SMILESCC1CC(C)C(C)N(CCCOC2CCNCC2)C1
InChIInChI=1S/C16H32N2O/c1-13-11-14(2)15(3)18(12-13)9-4-10-19-16-5-7-17-8-6-16/h13-17H,4-12H2,1-3H3
InChIKeyTYBQVPDKLXBTDY-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine

2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine (PubChem CID 114593846) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine
PubChem CID114593846
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine
SMILESCC1CC(C)C(C)N(CCCOC2CCNCC2)C1
InChIInChI=1S/C16H32N2O/c1-13-11-14(2)15(3)18(12-13)9-4-10-19-16-5-7-17-8-6-16/h13-17H,4-12H2,1-3H3
InChIKeyTYBQVPDKLXBTDY-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,5-trimethyl-1-(3-piperidin-4-ylpropyl)piperidine
CID 114593870
3-methyl-1-(3-piperidin-4-yloxypropyl)piperidine
CID 63904524
N,N,4-trimethyl-1-(3-piperidin-4-yloxypropyl)pyrrolidin-3-amine
CID 81464896
3-methyl-4-(3-piperidin-4-yloxypropyl)morpholine
CID 63905297
4-pentoxypiperidine
CID 43167830
4-[3-(2-cyclopentylpyrrolidin-1-yl)propoxy]piperidine
CID 63903227
4-(2,3,5-trimethylpiperidin-1-yl)butan-1-ol
CID 114594600
4-(4-methylpentoxy)azepane
CID 63904463
4-[3-(2,5-dihydropyrrol-1-yl)propoxy]piperidine
CID 65418148
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-(2,3,5-trimethylpiperidin-1-yl)ethanethiol
CID 114597780
[4-[3-(2,3,5-trimethylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 114592329

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine?
The IUPAC name of 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine (CID 114593846) is 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine.
What is the SMILES notation for 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine?
The canonical SMILES for 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine is CC1CC(C)C(C)N(CCCOC2CCNCC2)C1.
What is the InChIKey of 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine?
The InChIKey is TYBQVPDKLXBTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-11-14(2)15(3)18(12-13)9-4-10-19-16-5-7-17-8-6-16/h13-17H,4-12H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine?
2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1-(3-piperidin-4-yloxypropyl)piperidine is sourced from PubChem (CID 114593846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).