4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline

C18H30N2O — CID 54807041

IUPAC4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline
SMILESCC(C)CCOc1ccc(NCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-16(2)10-15-21-18-8-6-17(7-9-18)19-11-14-20-12-4-3-5-13-20/h6-9,16,19H,3-5,10-15H2,1-2H3
InChIKeyPLNXUECWBUCLTL-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.01
Rot. Bonds8

About 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline

4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline (PubChem CID 54807041) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline
PubChem CID54807041
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline
SMILESCC(C)CCOc1ccc(NCCN2CCCCC2)cc1
InChIInChI=1S/C18H30N2O/c1-16(2)10-15-21-18-8-6-17(7-9-18)19-11-14-20-12-4-3-5-13-20/h6-9,16,19H,3-5,10-15H2,1-2H3
InChIKeyPLNXUECWBUCLTL-UHFFFAOYSA-N
XLogP4.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-4-(3-methylbutoxy)aniline
CID 54807391
N-[2-(azepan-1-yl)ethyl]-3-(3-methylbutoxy)aniline
CID 54806873
N'-butan-2-yl-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54808517
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-propoxyaniline
CID 82888943
N-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-methylbutoxy)aniline
CID 54799350
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-[(methylideneamino)methyl]-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 167055048
N'-(3-chloro-4-fluorophenyl)-N-[4-(3-methylbutoxy)phenyl]ethane-1,2-diamine
CID 54809601
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
2-methoxy-2,4-dimethyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]pentanamide
CID 133245908

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline?
The IUPAC name of 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline (CID 54807041) is 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline?
The canonical SMILES for 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline is CC(C)CCOc1ccc(NCCN2CCCCC2)cc1.
What is the InChIKey of 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline?
The InChIKey is PLNXUECWBUCLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-16(2)10-15-21-18-8-6-17(7-9-18)19-11-14-20-12-4-3-5-13-20/h6-9,16,19H,3-5,10-15H2,1-2H3.
What are the key properties of 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline?
4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline has a molecular weight of 290.45 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(2-piperidin-1-ylethyl)aniline is sourced from PubChem (CID 54807041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).