6-[4-(3-methylbutyl)piperidin-1-yl]hexanal

C16H31NO — CID 164535749

IUPAC6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
SMILESCC(C)CCC1CCN(CCCCCC=O)CC1
InChIInChI=1S/C16H31NO/c1-15(2)7-8-16-9-12-17(13-10-16)11-5-3-4-6-14-18/h14-16H,3-13H2,1-2H3
InChIKeyASPXUQQRVQZXAJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds9

About 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal

6-[4-(3-methylbutyl)piperidin-1-yl]hexanal (PubChem CID 164535749) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal.

Molecular Properties

Compound Name6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
PubChem CID164535749
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6-[4-(3-methylbutyl)piperidin-1-yl]hexanal
SMILESCC(C)CCC1CCN(CCCCCC=O)CC1
InChIInChI=1S/C16H31NO/c1-15(2)7-8-16-9-12-17(13-10-16)11-5-3-4-6-14-18/h14-16H,3-13H2,1-2H3
InChIKeyASPXUQQRVQZXAJ-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-(3-methylbutyl)piperidine
CID 167107380
4-[4-(6-methylheptyl)piperidin-1-yl]butan-1-ol
CID 71395080
1-(6-methylheptyl)-4-(3-piperidin-4-ylpropyl)piperidine
CID 123314475
ethane;4-ethyl-1-(6-methylheptyl)piperidine
CID 170614915
6-(4-methylpiperazin-1-yl)hexanal
CID 19781527
1-hexyl-4-(2-methylpropyl)piperidine
CID 157305841
18-methylnonadecanal
CID 22123977
12-methyltridecanal
CID 146297718
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
3-[4-(3-methylbutyl)piperazin-1-yl]propanal
CID 164535551
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-hexyl-3-(2-methylpropyl)pyrrolidine
CID 169242044

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal?
The IUPAC name of 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal (CID 164535749) is 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal.
What is the SMILES notation for 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal?
The canonical SMILES for 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal is CC(C)CCC1CCN(CCCCCC=O)CC1.
What is the InChIKey of 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal?
The InChIKey is ASPXUQQRVQZXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-15(2)7-8-16-9-12-17(13-10-16)11-5-3-4-6-14-18/h14-16H,3-13H2,1-2H3.
What are the key properties of 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal?
6-[4-(3-methylbutyl)piperidin-1-yl]hexanal has a molecular weight of 253.43 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methylbutyl)piperidin-1-yl]hexanal is sourced from PubChem (CID 164535749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).