N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline

C16H27N3 — CID 115379367

IUPACN,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline
SMILESCCCC1CN(c2ccc(C)c(N(C)C)c2)CCN1
InChIInChI=1S/C16H27N3/c1-5-6-14-12-19(10-9-17-14)15-8-7-13(2)16(11-15)18(3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeyQVLBERHYXZINER-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.64
Rot. Bonds4

About N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline

N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline (PubChem CID 115379367) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline
PubChem CID115379367
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline
SMILESCCCC1CN(c2ccc(C)c(N(C)C)c2)CCN1
InChIInChI=1S/C16H27N3/c1-5-6-14-12-19(10-9-17-14)15-8-7-13(2)16(11-15)18(3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3
InChIKeyQVLBERHYXZINER-UHFFFAOYSA-N
XLogP2.64
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-3-propylpiperazine
CID 64923821
1-(4-bromophenyl)-3-propylpiperazine
CID 64925281
1-(4-chlorophenyl)-3-propylpiperazine
CID 64925256
N,N,2-trimethyl-5-piperazin-1-ylaniline
CID 115378435
1-(3-bromo-4-iodophenyl)-3-propylpiperazine
CID 114262416
3-ethyl-1-(3-fluoro-4-methylphenyl)piperazine
CID 64925990
3-propyl-1-[3-(trifluoromethyl)phenyl]piperazine
CID 64924394
1-(1-methylpyrazol-4-yl)-3-propylpiperazine
CID 64925636
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926350
5-(3,7-dimethyl-1,5-diazocan-1-yl)-N,N,2-trimethylaniline
CID 115379063
1-(2,4-difluorophenyl)-3-propylpiperazine
CID 64925789
1-(2-methoxy-5-methylphenyl)-3-propylpiperazine
CID 64923794

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline?
The IUPAC name of N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline (CID 115379367) is N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline.
What is the SMILES notation for N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline?
The canonical SMILES for N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline is CCCC1CN(c2ccc(C)c(N(C)C)c2)CCN1.
What is the InChIKey of N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline?
The InChIKey is QVLBERHYXZINER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-6-14-12-19(10-9-17-14)15-8-7-13(2)16(11-15)18(3)4/h7-8,11,14,17H,5-6,9-10,12H2,1-4H3.
What are the key properties of N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline?
N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline has a molecular weight of 261.41 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-(3-propylpiperazin-1-yl)aniline is sourced from PubChem (CID 115379367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).