4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol

C23H32N4O — CID 71194753

IUPAC4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
SMILESNN(N)CC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1
InChIInChI=1S/C23H32N4O/c24-27(25)18-23(19-5-2-1-3-6-19)13-15-26(16-14-23)17-22(11-4-12-22)20-7-9-21(28)10-8-20/h1-3,5-10,28H,4,11-18,24-25H2
InChIKeyQQRFDGFNNPKFSG-UHFFFAOYSA-N
MW380.54 g/mol
LogP2.90
Rot. Bonds6

About 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol

4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol (PubChem CID 71194753) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol.

Molecular Properties

Compound Name4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
PubChem CID71194753
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol
SMILESNN(N)CC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1
InChIInChI=1S/C23H32N4O/c24-27(25)18-23(19-5-2-1-3-6-19)13-15-26(16-14-23)17-22(11-4-12-22)20-7-9-21(28)10-8-20/h1-3,5-10,28H,4,11-18,24-25H2
InChIKeyQQRFDGFNNPKFSG-UHFFFAOYSA-N
XLogP2.90
TPSA78.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The IUPAC name of 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol (CID 71194753) is 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol.
What is the SMILES notation for 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The canonical SMILES for 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol is NN(N)CC1(c2ccccc2)CCN(CC2(c3ccc(O)cc3)CCC2)CC1.
What is the InChIKey of 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
The InChIKey is QQRFDGFNNPKFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c24-27(25)18-23(19-5-2-1-3-6-19)13-15-26(16-14-23)17-22(11-4-12-22)20-7-9-21(28)10-8-20/h1-3,5-10,28H,4,11-18,24-25H2.
What are the key properties of 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol?
4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol has a molecular weight of 380.54 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[4-[(diaminoamino)methyl]-4-phenylpiperidin-1-yl]methyl]cyclobutyl]phenol is sourced from PubChem (CID 71194753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).