N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 62281766

IUPACN-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCOC1CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C16H25N3O/c1-2-20-16-6-9-19(10-7-16)15-5-8-17-14(11-15)12-18-13-3-4-13/h5,8,11,13,16,18H,2-4,6-7,9-10,12H2,1H3
InChIKeyKHXCKYLXKWMSLZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds6

About N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62281766) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62281766
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCCOC1CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C16H25N3O/c1-2-20-16-6-9-19(10-7-16)15-5-8-17-14(11-15)12-18-13-3-4-13/h5,8,11,13,16,18H,2-4,6-7,9-10,12H2,1H3
InChIKeyKHXCKYLXKWMSLZ-UHFFFAOYSA-N
XLogP2.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284581
N-[[2-(4-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62282985
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114460779
1-[4-(4-ethylpiperidin-1-yl)-2-pyridinyl]-N-methylmethanamine
CID 62288899
N-[[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methyl]cyclopropanamine
CID 62288585
[4-(4-methoxypiperidin-1-yl)-2-pyridinyl]methanol
CID 61257075
N-[[4-(4-ethoxyphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62297962
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
4-(3-ethoxypiperidin-1-yl)-N-ethylpyridin-2-amine
CID 113367668

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 62281766) is N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CCOC1CCN(c2ccnc(CNC3CC3)c2)CC1.
What is the InChIKey of N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is KHXCKYLXKWMSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-20-16-6-9-19(10-7-16)15-5-8-17-14(11-15)12-18-13-3-4-13/h5,8,11,13,16,18H,2-4,6-7,9-10,12H2,1H3.
What are the key properties of N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62281766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).