N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

C18H30N2O — CID 103465120

IUPACN-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOCC(c1ccccc1)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-16-9-11-19-12-10-16)18(14-21-3)17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyQNCJJUFBGMFFID-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.08
Rot. Bonds7

About N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine

N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (PubChem CID 103465120) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
PubChem CID103465120
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
SMILESCOCC(c1ccccc1)N(CC1CCNCC1)C(C)C
InChIInChI=1S/C18H30N2O/c1-15(2)20(13-16-9-11-19-12-10-16)18(14-21-3)17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3
InChIKeyQNCJJUFBGMFFID-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-phenyl-2-piperidin-4-ylethanamine
CID 116906872
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
1-(furan-2-yl)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 79715208
N-[1-(4-fluorophenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715924
N'-tert-butyl-N-(cyclopropylmethyl)-1-phenyl-N-propan-2-ylethane-1,2-diamine
CID 62411806
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
CID 103466165
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
2-methyl-1-phenyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623958
3-[cyclopropylmethyl(propan-2-yl)amino]-3-phenylpropanimidamide
CID 62778447
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
N-(2-methoxy-1-phenylethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621863
2-methyl-1-phenyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79707906

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The IUPAC name of N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine (CID 103465120) is N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The canonical SMILES for N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is COCC(c1ccccc1)N(CC1CCNCC1)C(C)C.
What is the InChIKey of N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
The InChIKey is QNCJJUFBGMFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(2)20(13-16-9-11-19-12-10-16)18(14-21-3)17-7-5-4-6-8-17/h4-8,15-16,18-19H,9-14H2,1-3H3.
What are the key properties of N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine?
N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-1-phenylethyl)-N-(piperidin-4-ylmethyl)propan-2-amine is sourced from PubChem (CID 103465120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).