N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

C16H27N3O — CID 65469036

IUPACN-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC2CCCCN2C)ccn1
InChIInChI=1S/C16H27N3O/c1-3-8-17-12-14-11-16(7-9-18-14)20-13-15-6-4-5-10-19(15)2/h7,9,11,15,17H,3-6,8,10,12-13H2,1-2H3
InChIKeyZEWROZXTNKLLPV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds7

About N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine

N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (PubChem CID 65469036) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
PubChem CID65469036
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1cc(OCC2CCCCN2C)ccn1
InChIInChI=1S/C16H27N3O/c1-3-8-17-12-14-11-16(7-9-18-14)20-13-15-6-4-5-10-19(15)2/h7,9,11,15,17H,3-6,8,10,12-13H2,1-2H3
InChIKeyZEWROZXTNKLLPV-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-fluoro-2-[(1-methylpiperidin-2-yl)methoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391574
N-[[6-[(1-methylpiperidin-2-yl)methoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 66465686
N-[(4-methoxy-2-pyridinyl)methyl]propan-1-amine
CID 62291375
N-[[4-(3-methoxypropoxy)-2-pyridinyl]methyl]propan-1-amine
CID 62288945
N-methyl-N-[2-[[2-(propylaminomethyl)-4-pyridinyl]oxy]ethyl]cyclopropanamine
CID 102740576
3-[(1-methylpiperidin-2-yl)methoxy]-N-[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]aniline
CID 20738719
[3-[(1-methylpiperidin-2-yl)methoxy]phenyl]methanamine
CID 102814695
N-[[4-(3,4-dimethylcyclohexyl)oxy-2-pyridinyl]methyl]propan-1-amine
CID 64745207
N-[(4-butan-2-yloxy-2-pyridinyl)methyl]propan-1-amine
CID 62295954
N-[[4-(2-propan-2-yloxyethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 55058387
N-[[4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-pyridinyl]methyl]propan-1-amine
CID 62281573
N-[[4-[(4-chlorophenyl)methoxy]-2-pyridinyl]methyl]propan-1-amine
CID 65125344

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine (CID 65469036) is N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is CCCNCc1cc(OCC2CCCCN2C)ccn1.
What is the InChIKey of N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is ZEWROZXTNKLLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-8-17-12-14-11-16(7-9-18-14)20-13-15-6-4-5-10-19(15)2/h7,9,11,15,17H,3-6,8,10,12-13H2,1-2H3.
What are the key properties of N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine?
N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(1-methylpiperidin-2-yl)methoxy]-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 65469036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).