N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine

C17H29N3 — CID 62419918

IUPACN-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-8-10-20(11-9-19)14-17-7-5-6-16(12-17)13-18-15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3
InChIKeyIJHLHBMQYRYRPR-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

About N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine

N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62419918) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID62419918
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2cccc(CNC(C)C)c2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-8-10-20(11-9-19)14-17-7-5-6-16(12-17)13-18-15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3
InChIKeyIJHLHBMQYRYRPR-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 63159888
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419563
N-[[3-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62930308
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62433616
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440
1-ethyl-4-[(3-propan-2-ylsulfinylphenyl)methyl]piperazine
CID 170639137
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 62419918) is N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCN1CCN(Cc2cccc(CNC(C)C)c2)CC1.
What is the InChIKey of N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is IJHLHBMQYRYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-19-8-10-20(11-9-19)14-17-7-5-6-16(12-17)13-18-15(2)3/h5-7,12,15,18H,4,8-11,13-14H2,1-3H3.
What are the key properties of N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62419918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).