3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol

C16H27N3O — CID 115415228

IUPAC3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
SMILESCNC(Cc1cccc(O)c1)CC1CN(C)CCN1C
InChIInChI=1S/C16H27N3O/c1-17-14(9-13-5-4-6-16(20)10-13)11-15-12-18(2)7-8-19(15)3/h4-6,10,14-15,17,20H,7-9,11-12H2,1-3H3
InChIKeyDVWBFBKODKJOED-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.16
Rot. Bonds5

About 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol

3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol (PubChem CID 115415228) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol.

Molecular Properties

Compound Name3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
PubChem CID115415228
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
SMILESCNC(Cc1cccc(O)c1)CC1CN(C)CCN1C
InChIInChI=1S/C16H27N3O/c1-17-14(9-13-5-4-6-16(20)10-13)11-15-12-18(2)7-8-19(15)3/h4-6,10,14-15,17,20H,7-9,11-12H2,1-3H3
InChIKeyDVWBFBKODKJOED-UHFFFAOYSA-N
XLogP1.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
CID 115415255
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
1-(3-bromophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-ol
CID 115414918
2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 74230901
1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 115415115
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
4-[3-(1,4-dimethylpiperazin-2-yl)-2-hydrazinylpropyl]pyridin-2-amine
CID 105260183
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol?
The IUPAC name of 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol (CID 115415228) is 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol.
What is the SMILES notation for 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol?
The canonical SMILES for 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol is CNC(Cc1cccc(O)c1)CC1CN(C)CCN1C.
What is the InChIKey of 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol?
The InChIKey is DVWBFBKODKJOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-14(9-13-5-4-6-16(20)10-13)11-15-12-18(2)7-8-19(15)3/h4-6,10,14-15,17,20H,7-9,11-12H2,1-3H3.
What are the key properties of 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol?
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol has a molecular weight of 277.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol is sourced from PubChem (CID 115415228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).