N-(3-methylbutyl)-4-piperidin-1-ylaniline

C16H26N2 — CID 39349482

IUPACN-(3-methylbutyl)-4-piperidin-1-ylaniline
SMILESCC(C)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-14(2)10-11-17-15-6-8-16(9-7-15)18-12-4-3-5-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyZQJKSKMRIAABDL-UHFFFAOYSA-N
MW246.40 g/mol
LogP4.13
Rot. Bonds5

About N-(3-methylbutyl)-4-piperidin-1-ylaniline

N-(3-methylbutyl)-4-piperidin-1-ylaniline (PubChem CID 39349482) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-piperidin-1-ylaniline
PubChem CID39349482
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(3-methylbutyl)-4-piperidin-1-ylaniline
SMILESCC(C)CCNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C16H26N2/c1-14(2)10-11-17-15-6-8-16(9-7-15)18-12-4-3-5-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3
InChIKeyZQJKSKMRIAABDL-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-4-morpholin-4-ylaniline
CID 28675688
N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
N-(5-methylhexan-2-yl)-4-pyrrolidin-1-ylaniline
CID 43732186
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
N-heptyl-4-piperidin-1-ylaniline
CID 43715656
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
N',N'-diethyl-N-(4-piperidin-1-ylphenyl)ethane-1,2-diamine
CID 63179252
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
N-(2-methylbutyl)-4-pyrrolidin-1-ylaniline
CID 43732150
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-piperidin-1-ylaniline?
The IUPAC name of N-(3-methylbutyl)-4-piperidin-1-ylaniline (CID 39349482) is N-(3-methylbutyl)-4-piperidin-1-ylaniline.
What is the SMILES notation for N-(3-methylbutyl)-4-piperidin-1-ylaniline?
The canonical SMILES for N-(3-methylbutyl)-4-piperidin-1-ylaniline is CC(C)CCNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(3-methylbutyl)-4-piperidin-1-ylaniline?
The InChIKey is ZQJKSKMRIAABDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)10-11-17-15-6-8-16(9-7-15)18-12-4-3-5-13-18/h6-9,14,17H,3-5,10-13H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-4-piperidin-1-ylaniline?
N-(3-methylbutyl)-4-piperidin-1-ylaniline has a molecular weight of 246.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-piperidin-1-ylaniline is sourced from PubChem (CID 39349482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).