2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine

C18H29N3O3 — CID 138033013

IUPAC2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine
SMILESCOc1ccnc(CN2CCC(C3OCCCC3N)CC2)c1OC
InChIInChI=1S/C18H29N3O3/c1-22-16-5-8-20-15(18(16)23-2)12-21-9-6-13(7-10-21)17-14(19)4-3-11-24-17/h5,8,13-14,17H,3-4,6-7,9-12,19H2,1-2H3
InChIKeyWJICZTGHKCEUIJ-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.82
Rot. Bonds5

About 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine

2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine (PubChem CID 138033013) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine
PubChem CID138033013
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine
SMILESCOc1ccnc(CN2CCC(C3OCCCC3N)CC2)c1OC
InChIInChI=1S/C18H29N3O3/c1-22-16-5-8-20-15(18(16)23-2)12-21-9-6-13(7-10-21)17-14(19)4-3-11-24-17/h5,8,13-14,17H,3-4,6-7,9-12,19H2,1-2H3
InChIKeyWJICZTGHKCEUIJ-UHFFFAOYSA-N
XLogP1.82
TPSA69.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidine-4-carbothioamide
CID 103172874
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
(5S)-9-(cyclobutylmethyl)-2-[(3,4-dimethoxy-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 126425953
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
(3,4-dimethoxyphenyl)-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 95445434
(2R)-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-thiophen-3-ylmorpholine
CID 124622385
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
(1S,9S)-11-[(3,4-dimethoxy-2-pyridinyl)methyl]-8-oxa-2,3,4,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 118761359
1-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 103173612

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine?
The IUPAC name of 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine (CID 138033013) is 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine.
What is the SMILES notation for 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine?
The canonical SMILES for 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine is COc1ccnc(CN2CCC(C3OCCCC3N)CC2)c1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine?
The InChIKey is WJICZTGHKCEUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-22-16-5-8-20-15(18(16)23-2)12-21-9-6-13(7-10-21)17-14(19)4-3-11-24-17/h5,8,13-14,17H,3-4,6-7,9-12,19H2,1-2H3.
What are the key properties of 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine?
2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine has a molecular weight of 335.45 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-4-yl]oxan-3-amine is sourced from PubChem (CID 138033013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).