N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 106589227

IUPACN-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCC1CCCN(c2cnccc2CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-13(2)18-9-15-6-7-17-10-16(15)19-8-4-5-14(11-19)12-20-3/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyLJCBBQFQCBRZDV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds6

About N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine

N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine (PubChem CID 106589227) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
PubChem CID106589227
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
SMILESCOCC1CCCN(c2cnccc2CNC(C)C)C1
InChIInChI=1S/C16H27N3O/c1-13(2)18-9-15-6-7-17-10-16(15)19-8-4-5-14(11-19)12-20-3/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyLJCBBQFQCBRZDV-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
N-[[3-[3-(trifluoromethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 105074101
N-[[4-[4-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]propan-2-amine
CID 81247579
N-[[3-(3-methoxy-4-methylpiperidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 102967702
N-[[3-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105072808
N-[[3-(3-ethylpiperidin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105073026
N-[[4-(3-ethoxypiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247761
N-[[3-(2-cyclopentylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073329
N-methyl-1-[3-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]methanamine
CID 105074040
N-[[5-chloro-2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]methyl]propan-2-amine
CID 114851794
N-[[3-(3,3,4-trimethylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 105073916
N-[[4-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81246723

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine (CID 106589227) is N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine is COCC1CCCN(c2cnccc2CNC(C)C)C1.
What is the InChIKey of N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
The InChIKey is LJCBBQFQCBRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-9-15-6-7-17-10-16(15)19-8-4-5-14(11-19)12-20-3/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine?
N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 106589227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).