1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine

C17H28N2O2 — CID 63214611

IUPAC1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OCCOC(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)20-9-10-21-17-7-6-16(11-14(17)3)19-8-4-5-15(18)12-19/h6-7,11,13,15H,4-5,8-10,12,18H2,1-3H3
InChIKeySBHMWULCTPWSRU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.73
Rot. Bonds6

About 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine

1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine (PubChem CID 63214611) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
PubChem CID63214611
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OCCOC(C)C
InChIInChI=1S/C17H28N2O2/c1-13(2)20-9-10-21-17-7-6-16(11-14(17)3)19-8-4-5-15(18)12-19/h6-7,11,13,15H,4-5,8-10,12,18H2,1-3H3
InChIKeySBHMWULCTPWSRU-UHFFFAOYSA-N
XLogP2.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
CID 55162884
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
CID 82925713
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
CID 63937111
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
1-[4-[3-(dimethylamino)propoxy]-3-methylphenyl]piperidin-4-amine
CID 114526509
1-(4-ethoxy-3-methylphenyl)piperidin-4-amine
CID 63214437
1-[2-[3-(dimethylamino)propoxy]-5-methylphenyl]piperidin-3-amine
CID 114526504
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]piperidin-3-amine
CID 64566158
1-(3-ethoxy-4-nitrophenyl)piperidin-3-amine
CID 63671363
1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
CID 83134821

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine (CID 63214611) is 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine is Cc1cc(N2CCCC(N)C2)ccc1OCCOC(C)C.
What is the InChIKey of 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine?
The InChIKey is SBHMWULCTPWSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-13(2)20-9-10-21-17-7-6-16(11-14(17)3)19-8-4-5-15(18)12-19/h6-7,11,13,15H,4-5,8-10,12,18H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine?
1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 63214611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).