1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol

C20H33N3O — CID 75425720

IUPAC1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
SMILESCC1CN(C(C)C)CC1Nc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3
InChIKeyPEYFKWGZBTZVPI-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.78
Rot. Bonds5

About 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol

1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol (PubChem CID 75425720) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
PubChem CID75425720
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol
SMILESCC1CN(C(C)C)CC1Nc1cccc(CN2CCC(O)CC2)c1
InChIInChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3
InChIKeyPEYFKWGZBTZVPI-UHFFFAOYSA-N
XLogP2.78
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol (CID 75425720) is 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol is CC1CN(C(C)C)CC1Nc1cccc(CN2CCC(O)CC2)c1.
What is the InChIKey of 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol?
The InChIKey is PEYFKWGZBTZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)23-12-16(3)20(14-23)21-18-6-4-5-17(11-18)13-22-9-7-19(24)8-10-22/h4-6,11,15-16,19-21,24H,7-10,12-14H2,1-3H3.
What are the key properties of 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol?
1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol has a molecular weight of 331.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(4-methyl-1-propan-2-ylpyrrolidin-3-yl)amino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 75425720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).