N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline

C18H30N2O2 — CID 83961518

IUPACN-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
SMILESCC(C)Oc1ccc(NCC2CCNCC2)cc1OC(C)C
InChIInChI=1S/C18H30N2O2/c1-13(2)21-17-6-5-16(11-18(17)22-14(3)4)20-12-15-7-9-19-10-8-15/h5-6,11,13-15,19-20H,7-10,12H2,1-4H3
InChIKeyZYGUACSMHXWRJH-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.67
Rot. Bonds7

About N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline

N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline (PubChem CID 83961518) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
PubChem CID83961518
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline
SMILESCC(C)Oc1ccc(NCC2CCNCC2)cc1OC(C)C
InChIInChI=1S/C18H30N2O2/c1-13(2)21-17-6-5-16(11-18(17)22-14(3)4)20-12-15-7-9-19-10-8-15/h5-6,11,13-15,19-20H,7-10,12H2,1-4H3
InChIKeyZYGUACSMHXWRJH-UHFFFAOYSA-N
XLogP3.67
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
4-(difluoromethoxy)-3-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 79708271
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094
3-chloro-4-ethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79707140
N-(2-methylpropyl)-3,4-di(propan-2-yloxy)aniline
CID 83961524
3-chloro-N-(piperidin-4-ylmethyl)-4-propoxyaniline
CID 79707222
4-ethyl-N-(piperidin-4-ylmethyl)aniline;propane
CID 144503666
4-N,4-N-dimethyl-1-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 79708402
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
N-(cyclobutylmethyl)-4-propan-2-yloxyaniline
CID 65458952
2-methyl-4-(piperidin-4-ylmethylamino)benzamide
CID 81279242
N-(cyclohexylmethyl)-4-propan-2-yloxyaniline
CID 28969668

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline?
The IUPAC name of N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline (CID 83961518) is N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline?
The canonical SMILES for N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline is CC(C)Oc1ccc(NCC2CCNCC2)cc1OC(C)C.
What is the InChIKey of N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline?
The InChIKey is ZYGUACSMHXWRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13(2)21-17-6-5-16(11-18(17)22-14(3)4)20-12-15-7-9-19-10-8-15/h5-6,11,13-15,19-20H,7-10,12H2,1-4H3.
What are the key properties of N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline?
N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline has a molecular weight of 306.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-3,4-di(propan-2-yloxy)aniline is sourced from PubChem (CID 83961518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).