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

C20H32N2O2 — CID 154379731

IUPACN-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
SMILESCNC1(c2ccc(OC3CCN(C(C)C)CC3)cc2)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-16(2)22-12-8-19(9-13-22)24-18-6-4-17(5-7-18)20(21-3)10-14-23-15-11-20/h4-7,16,19,21H,8-15H2,1-3H3
InChIKeyPRYFUBFSGGCEQY-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.16
Rot. Bonds5

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

N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine (PubChem CID 154379731) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
PubChem CID154379731
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
SMILESCNC1(c2ccc(OC3CCN(C(C)C)CC3)cc2)CCOCC1
InChIInChI=1S/C20H32N2O2/c1-16(2)22-12-8-19(9-13-22)24-18-6-4-17(5-7-18)20(21-3)10-14-23-15-11-20/h4-7,16,19,21H,8-15H2,1-3H3
InChIKeyPRYFUBFSGGCEQY-UHFFFAOYSA-N
XLogP3.16
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]-1,2-thiazolidine
CID 90897078
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-2-amine
CID 59837502
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
CID 59250205
4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
1-propan-2-yl-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 130267989
N-[[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-yl]methyl]pyridin-3-amine;4-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]piperidine-4-carbonitrile
CID 158102766
7-(1-propan-2-ylpiperidin-4-yl)oxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10266140
3-[2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042280
2-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154236709
5-(1-propan-2-ylpiperidin-4-yl)oxy-1-benzothiophene-2-carboxylic acid
CID 68728287
1-ethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316275
4-(6-methoxy-3-pyridinyl)-9-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 66783972

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine?
The IUPAC name of N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine (CID 154379731) is N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine.
What is the SMILES notation for N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine?
The canonical SMILES for N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine is CNC1(c2ccc(OC3CCN(C(C)C)CC3)cc2)CCOCC1.
What is the InChIKey of N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine?
The InChIKey is PRYFUBFSGGCEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-16(2)22-12-8-19(9-13-22)24-18-6-4-17(5-7-18)20(21-3)10-14-23-15-11-20/h4-7,16,19,21H,8-15H2,1-3H3.
What are the key properties of N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine?
N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine has a molecular weight of 332.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine is sourced from PubChem (CID 154379731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).