1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine

C14H27N3 — CID 63122830

IUPAC1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1(CN2CCN(C3CC3)CC2)CCNCC1
InChIInChI=1S/C14H27N3/c1-14(4-6-15-7-5-14)12-16-8-10-17(11-9-16)13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyAWKLOQXINDADIQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine

1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 63122830) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
PubChem CID63122830
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine
SMILESCC1(CN2CCN(C3CC3)CC2)CCNCC1
InChIInChI=1S/C14H27N3/c1-14(4-6-15-7-5-14)12-16-8-10-17(11-9-16)13-2-3-13/h13,15H,2-12H2,1H3
InChIKeyAWKLOQXINDADIQ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine (CID 63122830) is 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine is CC1(CN2CCN(C3CC3)CC2)CCNCC1.
What is the InChIKey of 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is AWKLOQXINDADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(4-6-15-7-5-14)12-16-8-10-17(11-9-16)13-2-3-13/h13,15H,2-12H2,1H3.
What are the key properties of 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine?
1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(4-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 63122830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).