N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine

C25H37N3O — CID 24945959

IUPACN,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(C)N1CCN(Cc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H37N3O/c1-21(2)28-18-16-27(17-19-28)20-22-10-12-23(13-11-22)25(14-15-26(3)4)29-24-8-6-5-7-9-24/h5-13,21,25H,14-20H2,1-4H3
InChIKeyQCMXYZDRHJXSBI-UHFFFAOYSA-N
MW395.59 g/mol
LogP4.28
Rot. Bonds9

About N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine

N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine (PubChem CID 24945959) has the molecular formula C25H37N3O and a molecular weight of 395.59 g/mol. Its IUPAC name is N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine
PubChem CID24945959
Molecular FormulaC25H37N3O
Molecular Weight395.59 g/mol
Exact Mass395.29
IUPAC NameN,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine
SMILESCC(C)N1CCN(Cc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H37N3O/c1-21(2)28-18-16-27(17-19-28)20-22-10-12-23(13-11-22)25(14-15-26(3)4)29-24-8-6-5-7-9-24/h5-13,21,25H,14-20H2,1-4H3
InChIKeyQCMXYZDRHJXSBI-UHFFFAOYSA-N
XLogP4.28
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-1-ynyl]phenoxy]-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 24946144
N,N-dimethyl-3-phenyl-3-[4-(3-piperidin-1-ylpropoxy)phenoxy]propan-1-amine
CID 24948507
2-bromo-2-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]acetaldehyde
CID 89239415
1-[(4-chlorophenyl)-phenylmethyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 44523966
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
3-(1-benzylpiperidin-4-yl)-1-[4-[3-(dimethylamino)-1-(2-methoxyphenoxy)propyl]phenyl]propan-1-one
CID 139836303
3-[4-[[4-[4-(difluoromethoxy)phenyl]phenyl]methyl]piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 165425748
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
4-[(4-propan-2-ylpiperazin-1-yl)methyl]benzonitrile
CID 43400997
N,N-dimethyl-5-(4-methylphenoxy)-5-phenylpentan-1-amine
CID 118530454
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine (CID 24945959) is N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine is CC(C)N1CCN(Cc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
The InChIKey is QCMXYZDRHJXSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O/c1-21(2)28-18-16-27(17-19-28)20-22-10-12-23(13-11-22)25(14-15-26(3)4)29-24-8-6-5-7-9-24/h5-13,21,25H,14-20H2,1-4H3.
What are the key properties of N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine?
N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine has a molecular weight of 395.59 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenoxy-3-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 24945959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).