N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine

C19H32N2O — CID 84750601

IUPACN-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(N2CCCCC2)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O/c1-5-16(4)20-14-17-9-10-18(19(13-17)22-15(2)3)21-11-7-6-8-12-21/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3
InChIKeyGHGKMPNDJNGGDA-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.35
Rot. Bonds7

About N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine

N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 84750601) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID84750601
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCC(C)NCc1ccc(N2CCCCC2)c(OC(C)C)c1
InChIInChI=1S/C19H32N2O/c1-5-16(4)20-14-17-9-10-18(19(13-17)22-15(2)3)21-11-7-6-8-12-21/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3
InChIKeyGHGKMPNDJNGGDA-UHFFFAOYSA-N
XLogP4.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-[(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 84750292
N-[(4-piperazin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 84750629
N-methyl-1-(3-propan-2-yloxy-4-pyrrolidin-1-ylphenyl)methanamine
CID 84750300
N-[[4-(azepan-1-yl)-3-propan-2-yloxyphenyl]methyl]prop-2-en-1-amine
CID 84750022
N-[[3-(azepan-1-yl)-4-fluorophenyl]methyl]butan-2-amine
CID 84753227
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]butan-2-amine
CID 84749774
(2S)-N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990395
N-[[4-(1,4-diazepan-1-yl)-3-propan-2-yloxyphenyl]methyl]cyclopropanamine
CID 84750655
N-[(4-morpholin-4-yl-3-propan-2-yloxyphenyl)methyl]cyclopropanamine
CID 84750548
N-[(3,4-dimethoxyphenyl)methyl]butan-2-amine
CID 4717032
N-[[4-(azepan-1-yl)-3-methoxyphenyl]methyl]propan-1-amine
CID 84754166
N-[[4-(1,4-diazepan-1-yl)-3-ethoxyphenyl]methyl]propan-2-amine
CID 84749780

Frequently Asked Questions

What is the IUPAC name of N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 84750601) is N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine is CCC(C)NCc1ccc(N2CCCCC2)c(OC(C)C)c1.
What is the InChIKey of N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is GHGKMPNDJNGGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-16(4)20-14-17-9-10-18(19(13-17)22-15(2)3)21-11-7-6-8-12-21/h9-10,13,15-16,20H,5-8,11-12,14H2,1-4H3.
What are the key properties of N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine?
N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-piperidin-1-yl-3-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 84750601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).