[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine

C20H32N2O2 — CID 11515488

IUPAC[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1
InChIInChI=1S/C20H32N2O2/c21-17-20(9-15-23-16-10-20)18-5-7-19(8-6-18)24-14-4-13-22-11-2-1-3-12-22/h5-8H,1-4,9-17,21H2
InChIKeyOOHJPPKHNSTYEP-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.95
Rot. Bonds7

About [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine

[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine (PubChem CID 11515488) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
PubChem CID11515488
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine
SMILESNCC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1
InChIInChI=1S/C20H32N2O2/c21-17-20(9-15-23-16-10-20)18-5-7-19(8-6-18)24-14-4-13-22-11-2-1-3-12-22/h5-8H,1-4,9-17,21H2
InChIKeyOOHJPPKHNSTYEP-UHFFFAOYSA-N
XLogP2.95
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]morpholine
CID 11545550
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]piperazine
CID 59837542
ethyl 4-[[4-[4-[3-(azepan-1-yl)propoxy]phenyl]oxan-4-yl]methyl]piperazine-1-carboxylate
CID 143132641
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethanamine
CID 11653402
[4-[4-(3-pyrrolidin-1-ylpropylsulfanyl)phenyl]oxan-4-yl]methanamine
CID 68576679
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclohexanamine
CID 68576619
4-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]-1,4-thiazinane 1-oxide
CID 59837402
N-methyl-4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 90860071
N,N,N'-trimethyl-N'-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]ethane-1,2-diamine
CID 68576692
N-methyl-N-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]cyclopentanamine
CID 68577910
N,N-dimethyl-1-[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine;N-methyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-amine
CID 158206148
1-[[4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]oxan-4-yl]methyl]benzimidazole
CID 59837497

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The IUPAC name of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine (CID 11515488) is [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine.
What is the SMILES notation for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The canonical SMILES for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine is NCC1(c2ccc(OCCCN3CCCCC3)cc2)CCOCC1.
What is the InChIKey of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
The InChIKey is OOHJPPKHNSTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c21-17-20(9-15-23-16-10-20)18-5-7-19(8-6-18)24-14-4-13-22-11-2-1-3-12-22/h5-8H,1-4,9-17,21H2.
What are the key properties of [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine?
[4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine has a molecular weight of 332.49 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-piperidin-1-ylpropoxy)phenyl]oxan-4-yl]methanamine is sourced from PubChem (CID 11515488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).