N-heptyl-4-piperidin-1-ylaniline

C18H30N2 — CID 43715656

IUPACN-heptyl-4-piperidin-1-ylaniline
SMILESCCCCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-7-14-19-17-10-12-18(13-11-17)20-15-8-6-9-16-20/h10-13,19H,2-9,14-16H2,1H3
InChIKeyBLMUFUFIIYZLED-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.06
Rot. Bonds8

About N-heptyl-4-piperidin-1-ylaniline

N-heptyl-4-piperidin-1-ylaniline (PubChem CID 43715656) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-heptyl-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-heptyl-4-piperidin-1-ylaniline
PubChem CID43715656
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-heptyl-4-piperidin-1-ylaniline
SMILESCCCCCCCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H30N2/c1-2-3-4-5-7-14-19-17-10-12-18(13-11-17)20-15-8-6-9-16-20/h10-13,19H,2-9,14-16H2,1H3
InChIKeyBLMUFUFIIYZLED-UHFFFAOYSA-N
XLogP5.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
N'-(4-piperidin-1-ylphenyl)hexane-1,6-diamine
CID 83949113
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N'-[4-(4-piperidin-1-ylphenyl)phenyl]pentane-1,5-diamine
CID 59230134
N-butyl-4-morpholin-4-ylaniline
CID 28675754
5-(4-piperidin-1-ylanilino)pentanenitrile
CID 63179154
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
N-butyl-4-(4-ethylpiperazin-1-yl)aniline
CID 112721980
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
N-(3-methylbutyl)-4-piperidin-1-ylaniline
CID 39349482
6-methyl-2-N-pentyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112925545
6-N-butyl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112855212

Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-piperidin-1-ylaniline?
The IUPAC name of N-heptyl-4-piperidin-1-ylaniline (CID 43715656) is N-heptyl-4-piperidin-1-ylaniline.
What is the SMILES notation for N-heptyl-4-piperidin-1-ylaniline?
The canonical SMILES for N-heptyl-4-piperidin-1-ylaniline is CCCCCCCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-heptyl-4-piperidin-1-ylaniline?
The InChIKey is BLMUFUFIIYZLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-2-3-4-5-7-14-19-17-10-12-18(13-11-17)20-15-8-6-9-16-20/h10-13,19H,2-9,14-16H2,1H3.
What are the key properties of N-heptyl-4-piperidin-1-ylaniline?
N-heptyl-4-piperidin-1-ylaniline has a molecular weight of 274.45 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-piperidin-1-ylaniline is sourced from PubChem (CID 43715656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).