N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine

C25H36N2O2 — CID 24948317

IUPACN,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine
SMILESCC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3
InChIKeyYLWKUCPPUFNBEX-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.01
Rot. Bonds9

About N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine

N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine (PubChem CID 24948317) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine
PubChem CID24948317
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC NameN,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine
SMILESCC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3
InChIKeyYLWKUCPPUFNBEX-UHFFFAOYSA-N
XLogP5.01
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine (CID 24948317) is N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine is CC(C)N1CCC(Oc2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine?
The InChIKey is YLWKUCPPUFNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O2/c1-20(2)27-18-14-24(15-19-27)28-23-12-10-21(11-13-23)25(16-17-26(3)4)29-22-8-6-5-7-9-22/h5-13,20,24-25H,14-19H2,1-4H3.
What are the key properties of N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine?
N,N-dimethyl-3-phenoxy-3-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine has a molecular weight of 396.58 g/mol, XLogP of 5.01, 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-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]propan-1-amine is sourced from PubChem (CID 24948317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).