1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine

C15H29N3O — CID 114410999

IUPAC1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine
SMILESCOCC1=CCN(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,18-10-6-16-7-11-18)13-17-8-4-14(5-9-17)12-19-3/h4,16H,5-13H2,1-3H3
InChIKeyRSYLQJGAZGYRLH-UHFFFAOYSA-N
MW267.42 g/mol
LogP0.95
Rot. Bonds5

About 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine

1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine (PubChem CID 114410999) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine
PubChem CID114410999
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine
SMILESCOCC1=CCN(CC(C)(C)N2CCNCC2)CC1
InChIInChI=1S/C15H29N3O/c1-15(2,18-10-6-16-7-11-18)13-17-8-4-14(5-9-17)12-19-3/h4,16H,5-13H2,1-3H3
InChIKeyRSYLQJGAZGYRLH-UHFFFAOYSA-N
XLogP0.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]ethanamine
CID 114411090
ethane;4-methyl-3,6-dihydro-2H-pyran;1-methylpiperazine
CID 165409660
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methylpropan-1-amine
CID 103227337
N-[3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-2-methylpropan-2-amine
CID 103227338
N-ethyl-3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-amine
CID 103227339
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propan-2-ylpropan-1-amine
CID 103227340
3-methoxy-2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-N-propylpropan-1-amine
CID 103227341
(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885727
(3R)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)-3-methylpiperazine
CID 103885948
4-(methoxymethyl)-1-(2-piperidin-4-ylethyl)-3,6-dihydro-2H-pyridine
CID 113581627
4-(methoxymethyl)-1-[(4-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581632
4-(methoxymethyl)-1-(3-piperidin-2-ylpropyl)-3,6-dihydro-2H-pyridine
CID 113581634

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine?
The IUPAC name of 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine (CID 114410999) is 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine.
What is the SMILES notation for 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine?
The canonical SMILES for 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine is COCC1=CCN(CC(C)(C)N2CCNCC2)CC1.
What is the InChIKey of 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine?
The InChIKey is RSYLQJGAZGYRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2,18-10-6-16-7-11-18)13-17-8-4-14(5-9-17)12-19-3/h4,16H,5-13H2,1-3H3.
What are the key properties of 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine?
1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine has a molecular weight of 267.42 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-2-yl]piperazine is sourced from PubChem (CID 114410999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).