2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline

C16H26N2O — CID 106633661

IUPAC2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-7-8-16(13(3)10-15)18-11-14-6-4-5-9-17-14/h7-8,10,12,14,17-18H,4-6,9,11H2,1-3H3
InChIKeyACDJEUPFPKJGGB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.34
Rot. Bonds5

About 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline

2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline (PubChem CID 106633661) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
PubChem CID106633661
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
SMILESCc1cc(OC(C)C)ccc1NCC1CCCCN1
InChIInChI=1S/C16H26N2O/c1-12(2)19-15-7-8-16(13(3)10-15)18-11-14-6-4-5-9-17-14/h7-8,10,12,14,17-18H,4-6,9,11H2,1-3H3
InChIKeyACDJEUPFPKJGGB-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
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

2-methyl-N-(oxolan-2-ylmethyl)-4-propan-2-yloxyaniline
CID 82836058
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
N-(1-cyclopentylethyl)-2-methyl-4-propan-2-yloxyaniline
CID 63451061
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
N-(2-piperidin-2-ylethyl)-3-propan-2-yloxybenzamide
CID 62919974
2,4-bis(4-methoxyphenoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 66984484
3-piperidin-2-yl-1-(3-propan-2-yloxyphenyl)propan-1-one
CID 116563717

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline?
The IUPAC name of 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline (CID 106633661) is 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline?
The canonical SMILES for 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline is Cc1cc(OC(C)C)ccc1NCC1CCCCN1.
What is the InChIKey of 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline?
The InChIKey is ACDJEUPFPKJGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)19-15-7-8-16(13(3)10-15)18-11-14-6-4-5-9-17-14/h7-8,10,12,14,17-18H,4-6,9,11H2,1-3H3.
What are the key properties of 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline?
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline has a molecular weight of 262.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline is sourced from PubChem (CID 106633661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).