N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine

C17H29N3O — CID 115939650

IUPACN-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(N2CCC(COC)CC2)cn1
InChIInChI=1S/C17H29N3O/c1-4-16(18-5-2)17-7-6-15(12-19-17)20-10-8-14(9-11-20)13-21-3/h6-7,12,14,16,18H,4-5,8-11,13H2,1-3H3
InChIKeyQWRVOTZRXNENPO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.01
Rot. Bonds7

About N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine

N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine (PubChem CID 115939650) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
PubChem CID115939650
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine
SMILESCCNC(CC)c1ccc(N2CCC(COC)CC2)cn1
InChIInChI=1S/C17H29N3O/c1-4-16(18-5-2)17-7-6-15(12-19-17)20-10-8-14(9-11-20)13-21-3/h6-7,12,14,16,18H,4-5,8-11,13H2,1-3H3
InChIKeyQWRVOTZRXNENPO-UHFFFAOYSA-N
XLogP3.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
N-ethyl-1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]propan-1-amine
CID 115939561
1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]piperidin-4-ol
CID 83122376
N-ethyl-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanamine
CID 83131415
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
N-ethyl-1-[5-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-1-amine
CID 112584190
N-[1-[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]ethyl]propan-1-amine
CID 83122477
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
4-[6-[1-(ethylamino)propyl]-3-pyridinyl]-3-methylpiperazin-2-one
CID 115939614

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine?
The IUPAC name of N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine (CID 115939650) is N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine is CCNC(CC)c1ccc(N2CCC(COC)CC2)cn1.
What is the InChIKey of N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine?
The InChIKey is QWRVOTZRXNENPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-16(18-5-2)17-7-6-15(12-19-17)20-10-8-14(9-11-20)13-21-3/h6-7,12,14,16,18H,4-5,8-11,13H2,1-3H3.
What are the key properties of N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine?
N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-[4-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115939650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).