1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine

C14H29N3 — CID 171641701

IUPAC1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine
SMILESCCN1CC(C)CC(CN2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-4-16-10-13(2)9-14(11-16)12-17-7-5-15(3)6-8-17/h13-14H,4-12H2,1-3H3
InChIKeyBMVKCYCXVFRPTD-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.21
Rot. Bonds3

About 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine

1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine (PubChem CID 171641701) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine
PubChem CID171641701
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine
SMILESCCN1CC(C)CC(CN2CCN(C)CC2)C1
InChIInChI=1S/C14H29N3/c1-4-16-10-13(2)9-14(11-16)12-17-7-5-15(3)6-8-17/h13-14H,4-12H2,1-3H3
InChIKeyBMVKCYCXVFRPTD-UHFFFAOYSA-N
XLogP1.21
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine (CID 171641701) is 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine is CCN1CC(C)CC(CN2CCN(C)CC2)C1.
What is the InChIKey of 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine?
The InChIKey is BMVKCYCXVFRPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-16-10-13(2)9-14(11-16)12-17-7-5-15(3)6-8-17/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine?
1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine has a molecular weight of 239.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-5-methylpiperidin-3-yl)methyl]-4-methylpiperazine is sourced from PubChem (CID 171641701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).