N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine

C24H29N3O — CID 14022500

IUPACN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine
SMILESc1cc(CN2CCCCC2)cc(OCCCNc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H29N3O/c1-4-15-27(16-5-1)19-20-8-6-10-22(18-20)28-17-7-14-25-24-13-12-21-9-2-3-11-23(21)26-24/h2-3,6,8-13,18H,1,4-5,7,14-17,19H2,(H,25,26)
InChIKeyQCWIRVUKKYVUGF-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.10
Rot. Bonds8

About N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine

N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine (PubChem CID 14022500) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine
PubChem CID14022500
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine
SMILESc1cc(CN2CCCCC2)cc(OCCCNc2ccc3ccccc3n2)c1
InChIInChI=1S/C24H29N3O/c1-4-15-27(16-5-1)19-20-8-6-10-22(18-20)28-17-7-14-25-24-13-12-21-9-2-3-11-23(21)26-24/h2-3,6,8-13,18H,1,4-5,7,14-17,19H2,(H,25,26)
InChIKeyQCWIRVUKKYVUGF-UHFFFAOYSA-N
XLogP5.10
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.10
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

N-(3-phenoxypropyl)quinolin-2-amine
CID 60678079
bis((Z)-but-2-enedioic acid);N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3-benzothiazol-2-amine
CID 11957725
3-N-[3-[3-(azepan-1-ylmethyl)phenoxy]propyl]-4-N-methyl-1,2,5-thiadiazole-3,4-diamine
CID 56974428
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
[1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]methanol
CID 139797356
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
3-[1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazol-3-yl]prop-1-en-2-ol
CID 70433864
1-methyl-5-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1,2,4-triazole-3-carboxamide
CID 12774367
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine?
The IUPAC name of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine (CID 14022500) is N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine.
What is the SMILES notation for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine?
The canonical SMILES for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine is c1cc(CN2CCCCC2)cc(OCCCNc2ccc3ccccc3n2)c1.
What is the InChIKey of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine?
The InChIKey is QCWIRVUKKYVUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-15-27(16-5-1)19-20-8-6-10-22(18-20)28-17-7-14-25-24-13-12-21-9-2-3-11-23(21)26-24/h2-3,6,8-13,18H,1,4-5,7,14-17,19H2,(H,25,26).
What are the key properties of N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine?
N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine has a molecular weight of 375.52 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]quinolin-2-amine is sourced from PubChem (CID 14022500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).