2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

C18H30N2O — CID 43677816

IUPAC2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccccc2COC)CC1
InChIInChI=1S/C18H30N2O/c1-4-11-20-12-9-16(10-13-20)15(2)19-18-8-6-5-7-17(18)14-21-3/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyVKDIZPWWUMYRKV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.76
Rot. Bonds7

About 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline

2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (PubChem CID 43677816) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
PubChem CID43677816
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
SMILESCCCN1CCC(C(C)Nc2ccccc2COC)CC1
InChIInChI=1S/C18H30N2O/c1-4-11-20-12-9-16(10-13-20)15(2)19-18-8-6-5-7-17(18)14-21-3/h5-8,15-16,19H,4,9-14H2,1-3H3
InChIKeyVKDIZPWWUMYRKV-UHFFFAOYSA-N
XLogP3.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43307485
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-methoxyaniline
CID 43307486
4-methoxy-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 62865937
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-propan-2-yloxyaniline
CID 43739139
2,6-dichloro-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 65467589
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
1-N-[1-(1-ethylpiperidin-4-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726410
5-bromo-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43729427
4-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]pyridin-3-amine
CID 63329411
2-bromo-5-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 82761319
4-chloro-2-methyl-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43308115

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The IUPAC name of 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline (CID 43677816) is 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline.
What is the SMILES notation for 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The canonical SMILES for 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is CCCN1CCC(C(C)Nc2ccccc2COC)CC1.
What is the InChIKey of 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
The InChIKey is VKDIZPWWUMYRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-11-20-12-9-16(10-13-20)15(2)19-18-8-6-5-7-17(18)14-21-3/h5-8,15-16,19H,4,9-14H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline?
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline has a molecular weight of 290.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline is sourced from PubChem (CID 43677816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).