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

C17H29N3 — CID 62419563

IUPACN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)14-17-7-5-16(6-8-17)13-18-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyNCYOMNAWTPTWMM-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds6

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

N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (PubChem CID 62419563) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
PubChem CID62419563
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
SMILESCCN1CCN(Cc2ccc(CNC(C)C)cc2)CC1
InChIInChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)14-17-7-5-16(6-8-17)13-18-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3
InChIKeyNCYOMNAWTPTWMM-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-[[4-(azepan-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62438547
N-[[4-[[4-(2-methylbutyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 155707430
N-[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62419918
N-[[4-(4-ethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 43281242
N-[[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenyl]methyl]propan-2-amine;molecular hydrogen
CID 155740671
N,N-dimethyl-1-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]piperidin-4-amine
CID 62433546
N-[[4-[(4,4-dimethylazepan-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 65286612
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62419565
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]ethanamine
CID 82166048
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butan-1-amine
CID 112722208
N-[[3-(4-ethylpiperazin-1-yl)-4-fluorophenyl]methyl]propan-2-amine
CID 84753440
N-[2-[4-(piperidin-1-ylmethyl)phenyl]ethyl]propan-2-amine
CID 105346654

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine (CID 62419563) is N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is CCN1CCN(Cc2ccc(CNC(C)C)cc2)CC1.
What is the InChIKey of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
The InChIKey is NCYOMNAWTPTWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-19-9-11-20(12-10-19)14-17-7-5-16(6-8-17)13-18-15(2)3/h5-8,15,18H,4,9-14H2,1-3H3.
What are the key properties of N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine?
N-[[4-[(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-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 62419563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).