N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine

C25H35N3O2 — CID 59837502

IUPACN-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
SMILESCC(C)N1CCC(Oc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-20(2)28-15-10-23(11-16-28)30-22-8-6-21(7-9-22)25(12-17-29-18-13-25)19-27-24-5-3-4-14-26-24/h3-9,14,20,23H,10-13,15-19H2,1-2H3,(H,26,27)
InChIKeyKQGXOAMXMMQKTQ-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.49
Rot. Bonds7

About N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine

N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine (PubChem CID 59837502) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
PubChem CID59837502
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
SMILESCC(C)N1CCC(Oc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)CC1
InChIInChI=1S/C25H35N3O2/c1-20(2)28-15-10-23(11-16-28)30-22-8-6-21(7-9-22)25(12-17-29-18-13-25)19-27-24-5-3-4-14-26-24/h3-9,14,20,23H,10-13,15-19H2,1-2H3,(H,26,27)
InChIKeyKQGXOAMXMMQKTQ-UHFFFAOYSA-N
XLogP4.49
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine (CID 59837502) is N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine is CC(C)N1CCC(Oc2ccc(C3(CNc4ccccn4)CCOCC3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine?
The InChIKey is KQGXOAMXMMQKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-20(2)28-15-10-23(11-16-28)30-22-8-6-21(7-9-22)25(12-17-29-18-13-25)19-27-24-5-3-4-14-26-24/h3-9,14,20,23H,10-13,15-19H2,1-2H3,(H,26,27).
What are the key properties of N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine?
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine has a molecular weight of 409.57 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 59837502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).