4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline

C16H26N2O — CID 115209479

IUPAC4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
SMILESCOc1ccc(NCC2CCCNC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-9-14(6-7-16(15)19-3)18-11-13-5-4-8-17-10-13/h6-7,9,12-13,17-18H,4-5,8,10-11H2,1-3H3
InChIKeyDPLOTNFDYSNIQR-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.23
Rot. Bonds5

About 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline

4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline (PubChem CID 115209479) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline.

Molecular Properties

Compound Name4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
PubChem CID115209479
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
SMILESCOc1ccc(NCC2CCCNC2)cc1C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15-9-14(6-7-16(15)19-3)18-11-13-5-4-8-17-10-13/h6-7,9,12-13,17-18H,4-5,8,10-11H2,1-3H3
InChIKeyDPLOTNFDYSNIQR-UHFFFAOYSA-N
XLogP3.23
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
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-[(3-aminocyclobutyl)methyl]-4-methoxy-3-propan-2-ylaniline
CID 115213783
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
3-chloro-4-(difluoromethoxy)-N-(piperidin-3-ylmethyl)aniline
CID 80553653
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
CID 83961573
N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208775
4-methoxy-2-methyl-N-(piperidin-3-ylmethyl)-5-propan-2-ylbenzenesulfonamide
CID 120707882
3-bromo-N-(piperidin-3-ylmethyl)-4-(trifluoromethoxy)aniline
CID 107335909
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylaniline
CID 82086323
3-chloro-N-(cyclopentylmethyl)-4-methoxyaniline
CID 61342616
3-[[3-(difluoromethyl)-4-methoxyphenyl]methyl]piperidine
CID 84804959

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline?
The IUPAC name of 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline (CID 115209479) is 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline.
What is the SMILES notation for 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline?
The canonical SMILES for 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline is COc1ccc(NCC2CCCNC2)cc1C(C)C.
What is the InChIKey of 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline?
The InChIKey is DPLOTNFDYSNIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15-9-14(6-7-16(15)19-3)18-11-13-5-4-8-17-10-13/h6-7,9,12-13,17-18H,4-5,8,10-11H2,1-3H3.
What are the key properties of 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline?
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline has a molecular weight of 262.40 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline is sourced from PubChem (CID 115209479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).