N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

C18H30N2O — CID 79698883

IUPACN-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOCc1ccc(CN(CC2CCNCC2)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-17-8-10-19-11-9-17)12-16-4-6-18(7-5-16)14-21-3/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyHDKAKLLGQBWVRV-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.04
Rot. Bonds7

About N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine

N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 79698883) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID79698883
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOCc1ccc(CN(CC2CCNCC2)C(C)C)cc1
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-17-8-10-19-11-9-17)12-16-4-6-18(7-5-16)14-21-3/h4-7,15,17,19H,8-14H2,1-3H3
InChIKeyHDKAKLLGQBWVRV-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603195
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
N-[(3-chloro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698882
4-[[4-(methoxymethyl)phenyl]methyl]piperidine
CID 84786985
N-benzyl-N-[[(3R)-pyrrolidin-3-yl]methyl]propan-2-amine
CID 94408590
2-fluoro-4-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 107692120
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715714
5-methoxy-2-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 79698878
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783
N-benzyl-N-(2-piperidin-4-ylethyl)propan-2-amine
CID 54911022
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 79714663
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine (CID 79698883) is N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is COCc1ccc(CN(CC2CCNCC2)C(C)C)cc1.
What is the InChIKey of N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is HDKAKLLGQBWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20(13-17-8-10-19-11-9-17)12-16-4-6-18(7-5-16)14-21-3/h4-7,15,17,19H,8-14H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine?
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 79698883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).