1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol

C21H29N3O — CID 67618555

IUPAC1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2c3c(nc4ccccc24)CCCC3)CC1
InChIInChI=1S/C21H29N3O/c25-16-10-14-24(15-11-16)13-5-12-22-21-17-6-1-3-8-19(17)23-20-9-4-2-7-18(20)21/h1,3,6,8,16,25H,2,4-5,7,9-15H2,(H,22,23)
InChIKeyYATUFRXSTBEHAP-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.37
Rot. Bonds5

About 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol

1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol (PubChem CID 67618555) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
PubChem CID67618555
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol
SMILESOC1CCN(CCCNc2c3c(nc4ccccc24)CCCC3)CC1
InChIInChI=1S/C21H29N3O/c25-16-10-14-24(15-11-16)13-5-12-22-21-17-6-1-3-8-19(17)23-20-9-4-2-7-18(20)21/h1,3,6,8,16,25H,2,4-5,7,9-15H2,(H,22,23)
InChIKeyYATUFRXSTBEHAP-UHFFFAOYSA-N
XLogP3.37
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pyrrolidin-1-ylbutyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432415
N-(9-morpholin-4-ylnonyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 54768920
N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)decane-1,10-diamine;dihydrochloride
CID 23644646
N,N'-bis(2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hexane-1,6-diamine
CID 15490813
N-[3-[4-[3-(acridin-9-ylamino)propyl]piperazin-1-yl]propyl]acridin-9-amine;dihydrochloride
CID 21144905
N-phenyl-N'-(1,2,3,4-tetrahydroacridin-9-yl)dodecane-1,12-diamine
CID 46889316
N-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 11826604
4-(1,2,3,4-tetrahydroacridin-9-ylamino)butylcarbamic acid
CID 118035689
N-octyl-1,2,3,4-tetrahydroacridin-9-amine
CID 10018304
N-butyl-6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine;hydrochloride
CID 24837218
N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine;hydrochloride
CID 45265092
N-(7-phenylheptyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 10761844

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol?
The IUPAC name of 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol (CID 67618555) is 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol is OC1CCN(CCCNc2c3c(nc4ccccc24)CCCC3)CC1.
What is the InChIKey of 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol?
The InChIKey is YATUFRXSTBEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-16-10-14-24(15-11-16)13-5-12-22-21-17-6-1-3-8-19(17)23-20-9-4-2-7-18(20)21/h1,3,6,8,16,25H,2,4-5,7,9-15H2,(H,22,23).
What are the key properties of 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol?
1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol has a molecular weight of 339.48 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]piperidin-4-ol is sourced from PubChem (CID 67618555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).