2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol

C17H27N3O — CID 61216490

IUPAC2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol
SMILESNc1cc(CN2CCC(N3CCCCC3)CC2)ccc1O
InChIInChI=1S/C17H27N3O/c18-16-12-14(4-5-17(16)21)13-19-10-6-15(7-11-19)20-8-2-1-3-9-20/h4-5,12,15,21H,1-3,6-11,13,18H2
InChIKeyVGRIMUDQIRTZRB-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol

2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol (PubChem CID 61216490) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol
PubChem CID61216490
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol
SMILESNc1cc(CN2CCC(N3CCCCC3)CC2)ccc1O
InChIInChI=1S/C17H27N3O/c18-16-12-14(4-5-17(16)21)13-19-10-6-15(7-11-19)20-8-2-1-3-9-20/h4-5,12,15,21H,1-3,6-11,13,18H2
InChIKeyVGRIMUDQIRTZRB-UHFFFAOYSA-N
XLogP2.42
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol?
The IUPAC name of 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol (CID 61216490) is 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol?
The canonical SMILES for 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol is Nc1cc(CN2CCC(N3CCCCC3)CC2)ccc1O.
What is the InChIKey of 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol?
The InChIKey is VGRIMUDQIRTZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-16-12-14(4-5-17(16)21)13-19-10-6-15(7-11-19)20-8-2-1-3-9-20/h4-5,12,15,21H,1-3,6-11,13,18H2.
What are the key properties of 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol?
2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol has a molecular weight of 289.42 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 61216490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).