N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine

C18H25FN2 — CID 116531501

IUPACN-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2N(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H25FN2/c19-15-2-5-17-14(11-15)1-6-18(17)21(16-3-4-16)12-13-7-9-20-10-8-13/h2,5,11,13,16,18,20H,1,3-4,6-10,12H2
InChIKeyCBJRAJUYXCDGTD-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.28
Rot. Bonds4

About N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine

N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 116531501) has the molecular formula C18H25FN2 and a molecular weight of 288.41 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID116531501
Molecular FormulaC18H25FN2
Molecular Weight288.41 g/mol
Exact Mass288.20
IUPAC NameN-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
SMILESFc1ccc2c(c1)CCC2N(CC1CCNCC1)C1CC1
InChIInChI=1S/C18H25FN2/c19-15-2-5-17-14(11-15)1-6-18(17)21(16-3-4-16)12-13-7-9-20-10-8-13/h2,5,11,13,16,18,20H,1,3-4,6-10,12H2
InChIKeyCBJRAJUYXCDGTD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-4-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 83059884
3-[cyclopropyl-(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoic acid
CID 116532317
N-cyclopropyl-N-(cyclopropylmethyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103983485
5-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 106598980
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N-cyclopropyl-N-(piperidin-4-ylmethyl)cyclobutanamine
CID 79716019
4-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)-methylamino]butanoic acid
CID 116532347
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
2-[cyclopropyl(piperidin-4-ylmethyl)amino]-5-fluorobenzamide
CID 79703797
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine (CID 116531501) is N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine is Fc1ccc2c(c1)CCC2N(CC1CCNCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CBJRAJUYXCDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2/c19-15-2-5-17-14(11-15)1-6-18(17)21(16-3-4-16)12-13-7-9-20-10-8-13/h2,5,11,13,16,18,20H,1,3-4,6-10,12H2.
What are the key properties of N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine?
N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 288.41 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 116531501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).