N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

C17H29N3 — CID 62425610

IUPACN-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCCN1CCN(Cc2cccc(CNCC)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-8-19-9-11-20(12-10-19)15-17-7-5-6-16(13-17)14-18-4-2/h5-7,13,18H,3-4,8-12,14-15H2,1-2H3
InChIKeyCSQLZEFEDXXCKJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds7

About N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine

N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 62425610) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID62425610
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCCN1CCN(Cc2cccc(CNCC)c2)CC1
InChIInChI=1S/C17H29N3/c1-3-8-19-9-11-20(12-10-19)15-17-7-5-6-16(13-17)14-18-4-2/h5-7,13,18H,3-4,8-12,14-15H2,1-2H3
InChIKeyCSQLZEFEDXXCKJ-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
N-[[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62419784
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 62433616
N-[(3-propylphenyl)methyl]ethanamine
CID 59900553
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
2-[[3-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetic acid
CID 126604086

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine (CID 62425610) is N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is CCCN1CCN(Cc2cccc(CNCC)c2)CC1.
What is the InChIKey of N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is CSQLZEFEDXXCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-8-19-9-11-20(12-10-19)15-17-7-5-6-16(13-17)14-18-4-2/h5-7,13,18H,3-4,8-12,14-15H2,1-2H3.
What are the key properties of N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine?
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62425610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).