N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine

C17H29N3 — CID 170866061

IUPACN,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3/c1-18(2)9-5-8-16-6-4-7-17(14-16)15-20-12-10-19(3)11-13-20/h4,6-7,14H,5,8-13,15H2,1-3H3
InChIKeyHNEPLQXLQJFNJW-UHFFFAOYSA-N
MW275.44 g/mol
LogP1.93
Rot. Bonds6

About N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine

N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 170866061) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID170866061
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCN(C)CCCc1cccc(CN2CCN(C)CC2)c1
InChIInChI=1S/C17H29N3/c1-18(2)9-5-8-16-6-4-7-17(14-16)15-20-12-10-19(3)11-13-20/h4,6-7,14H,5,8-13,15H2,1-3H3
InChIKeyHNEPLQXLQJFNJW-UHFFFAOYSA-N
XLogP1.93
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[3-(aminomethyl)phenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62886075
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 60691696
1-methyl-4-[3-[3-(1,2,4-triazol-1-ylmethyl)phenyl]propyl]piperazine
CID 170863331
1-methyl-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]piperazine
CID 141348331
2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanethioamide
CID 82135769
methanidyl-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]azanium
CID 58832495
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
1-methyl-4-[[3-(3-methylphenyl)phenyl]methyl]piperazine
CID 166864415
3-[3-[2-(2,6-dimethylphenyl)ethyl]phenyl]-N,N-dimethylpropan-1-amine
CID 137482894
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503
N-methyl-3-[(4-methylpiperazin-1-yl)methyl]-N-(4-phenylmethoxyphenyl)aniline
CID 118954533
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine (CID 170866061) is N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine is CN(C)CCCc1cccc(CN2CCN(C)CC2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is HNEPLQXLQJFNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-18(2)9-5-8-16-6-4-7-17(14-16)15-20-12-10-19(3)11-13-20/h4,6-7,14H,5,8-13,15H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 170866061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).