1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

C17H29N3 — CID 103502957

IUPAC1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-12(2)15-6-8-20(9-7-15)17-16(11-18-5)13(3)10-14(4)19-17/h10,12,15,18H,6-9,11H2,1-5H3
InChIKeyNZMBVQXKMVVEEG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.29
Rot. Bonds4

About 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine

1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (PubChem CID 103502957) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
PubChem CID103502957
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(C)nc1N1CCC(C(C)C)CC1
InChIInChI=1S/C17H29N3/c1-12(2)15-6-8-20(9-7-15)17-16(11-18-5)13(3)10-14(4)19-17/h10,12,15,18H,6-9,11H2,1-5H3
InChIKeyNZMBVQXKMVVEEG-UHFFFAOYSA-N
XLogP3.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]-N-methylmethanamine
CID 62289434
N-[[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285741
N-[[4,6-dimethyl-2-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 63623032
N-[[2-(4-ethylpiperidin-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62289436
N-[[4,6-dimethyl-2-(3-methylpyrrolidin-1-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62284032
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
3-(chloromethyl)-4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine
CID 61256984
[4,6-dimethyl-2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 61175547
N-[[2-(azepan-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]propan-1-amine
CID 62286638
N-[(4,6-dimethyl-2-morpholin-4-yl-3-pyridinyl)methyl]ethanamine
CID 62286271
N-[[4,6-dimethyl-2-(3,4,5-trimethylpiperazin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 114539975
N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62973725

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine (CID 103502957) is 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is CNCc1c(C)cc(C)nc1N1CCC(C(C)C)CC1.
What is the InChIKey of 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NZMBVQXKMVVEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-12(2)15-6-8-20(9-7-15)17-16(11-18-5)13(3)10-14(4)19-17/h10,12,15,18H,6-9,11H2,1-5H3.
What are the key properties of 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine?
1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 275.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-dimethyl-2-(4-propan-2-ylpiperidin-1-yl)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 103502957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).