1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine

C25H51N3 — CID 11641883

IUPAC1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
SMILESCCCCCCCCCCCCCCCN1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C25H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-22-17-25(18-23-28)27-24-15-19-26-20-16-24/h24-27H,2-23H2,1H3
InChIKeyUEZAQWXNXIKSIS-UHFFFAOYSA-N
MW393.70 g/mol
LogP5.88
Rot. Bonds16

About 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine

1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine (PubChem CID 11641883) has the molecular formula C25H51N3 and a molecular weight of 393.70 g/mol. Its IUPAC name is 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
PubChem CID11641883
Molecular FormulaC25H51N3
Molecular Weight393.70 g/mol
Exact Mass393.41
IUPAC Name1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine
SMILESCCCCCCCCCCCCCCCN1CCC(NC2CCNCC2)CC1
InChIInChI=1S/C25H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-22-17-25(18-23-28)27-24-15-19-26-20-16-24/h24-27H,2-23H2,1H3
InChIKeyUEZAQWXNXIKSIS-UHFFFAOYSA-N
XLogP5.88
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.70
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
1-tricosylpiperazine
CID 130183651
1-dodecyl-N-ethylpiperidin-4-amine
CID 63400728
ethane;1-octylpiperazine
CID 144711845
N-ethyl-1-pentylpiperidin-4-amine
CID 43315098
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
diazanium;1-docosylpiperazine;dibromide
CID 157305429
4-butyl-1-octylpiperidine
CID 171570418
N-pentyl-6-piperazin-1-ylhexan-1-amine
CID 54403619
4-fluoro-1-octylpiperidine
CID 130358850
1-methyl-N-piperidin-4-ylpiperidin-4-amine;trihydrochloride
CID 68591431
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626700

Frequently Asked Questions

What is the IUPAC name of 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine?
The IUPAC name of 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine (CID 11641883) is 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine.
What is the SMILES notation for 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine?
The canonical SMILES for 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine is CCCCCCCCCCCCCCCN1CCC(NC2CCNCC2)CC1.
What is the InChIKey of 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine?
The InChIKey is UEZAQWXNXIKSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-28-22-17-25(18-23-28)27-24-15-19-26-20-16-24/h24-27H,2-23H2,1H3.
What are the key properties of 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine?
1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine has a molecular weight of 393.70 g/mol, XLogP of 5.88, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentadecyl-N-piperidin-4-ylpiperidin-4-amine is sourced from PubChem (CID 11641883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).