N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline

C18H30N2O2 — CID 83961573

IUPACN-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCC2CCCNC2)cc1OCCC
InChIInChI=1S/C18H30N2O2/c1-3-10-21-17-8-7-16(12-18(17)22-11-4-2)20-14-15-6-5-9-19-13-15/h7-8,12,15,19-20H,3-6,9-11,13-14H2,1-2H3
InChIKeyKPJZSZFNYOAKSG-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.68
Rot. Bonds9

About N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline

N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline (PubChem CID 83961573) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
PubChem CID83961573
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline
SMILESCCCOc1ccc(NCC2CCCNC2)cc1OCCC
InChIInChI=1S/C18H30N2O2/c1-3-10-21-17-8-7-16(12-18(17)22-11-4-2)20-14-15-6-5-9-19-13-15/h7-8,12,15,19-20H,3-6,9-11,13-14H2,1-2H3
InChIKeyKPJZSZFNYOAKSG-UHFFFAOYSA-N
XLogP3.68
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.68
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

5-methyl-N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 83961752
N-(piperidin-3-ylmethyl)-2-propoxyaniline
CID 80553333
3,4-diethoxy-N-(piperidin-4-ylmethyl)aniline
CID 79699182
3-chloro-N-(piperidin-4-ylmethyl)-4-propoxyaniline
CID 79707222
4-methoxy-N-(piperidin-3-ylmethyl)-3-propan-2-ylaniline
CID 115209479
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3-chloro-4-(difluoromethoxy)-N-(piperidin-3-ylmethyl)aniline
CID 80553653
3-bromo-N-(piperidin-3-ylmethyl)-4-(trifluoromethoxy)aniline
CID 107335909
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
3-ethoxy-4-methoxy-N-(piperidin-4-ylmethyl)aniline
CID 79708094

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline?
The IUPAC name of N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline (CID 83961573) is N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline?
The canonical SMILES for N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline is CCCOc1ccc(NCC2CCCNC2)cc1OCCC.
What is the InChIKey of N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline?
The InChIKey is KPJZSZFNYOAKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-10-21-17-8-7-16(12-18(17)22-11-4-2)20-14-15-6-5-9-19-13-15/h7-8,12,15,19-20H,3-6,9-11,13-14H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline?
N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline has a molecular weight of 306.45 g/mol, XLogP of 3.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-3,4-dipropoxyaniline is sourced from PubChem (CID 83961573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).