1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine

C25H44N2 — CID 72735441

IUPAC1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
SMILESCCCCCCCCCCCCc1ccc(CCN2CCC(N)CC2)cc1
InChIInChI=1S/C25H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-15-24(16-14-23)17-20-27-21-18-25(26)19-22-27/h13-16,25H,2-12,17-22,26H2,1H3
InChIKeyUYVKGSBOXQVWNZ-UHFFFAOYSA-N
MW372.64 g/mol
LogP6.12
Rot. Bonds14

About 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine

1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine (PubChem CID 72735441) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
PubChem CID72735441
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC Name1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine
SMILESCCCCCCCCCCCCc1ccc(CCN2CCC(N)CC2)cc1
InChIInChI=1S/C25H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-15-24(16-14-23)17-20-27-21-18-25(26)19-22-27/h13-16,25H,2-12,17-22,26H2,1H3
InChIKeyUYVKGSBOXQVWNZ-UHFFFAOYSA-N
XLogP6.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
CID 86175375
hypochlorous acid;1-(2-phenylethyl)piperidin-4-amine
CID 159010718
1-(4-hexylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82050299
1-(5-hexylpyrimidin-2-yl)piperidin-4-amine
CID 103278601
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583
1-[2-(4-nitrophenyl)ethyl]piperidin-4-amine;hydrochloride
CID 119907439
1-butyl-4-nonylbenzene
CID 59545302
(3S)-1-[2-(4-tert-butylphenyl)ethyl]pyrrolidin-3-amine
CID 94769640
1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine (CID 72735441) is 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine is CCCCCCCCCCCCc1ccc(CCN2CCC(N)CC2)cc1.
What is the InChIKey of 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine?
The InChIKey is UYVKGSBOXQVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-15-24(16-14-23)17-20-27-21-18-25(26)19-22-27/h13-16,25H,2-12,17-22,26H2,1H3.
What are the key properties of 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine?
1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine has a molecular weight of 372.64 g/mol, XLogP of 6.12, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-dodecylphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72735441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).